ChemDB: Chemical Search
Download
Chemical ID: 5998776
Chemical ID:
5998776
Name [?]:
8-(1-adamantylcarbonyl)-2-(morpholinocarbonylmethyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
SMILES [?]:
c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)CC(=O)N7CCOCC7
InChi [?]:
InChI=1/C30H40N4O4/c35-26(31-10-12-38-13-11-31)20-33-21-34(25-4-2-1-3-5-25)30(28(33)37)6-8-32(9-7-30)27(36)29-17-22-14-23(18-29)16-24(15-22)19-29/h1-5,22-24H,6-21H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,17,14,16,34,38,35,37,23,26,28,25,21,29,30,8,24,22,27,4,31,18,10,20,12,33,15,9,7,32,19,11,36/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15,16)(17,18,19)(22,23,24)/rA:38cCCCCCCNCNCOCCCNCCCOCCCCCCCCCCCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s22;s23;s20s24;s24;s26;s22s27;s20s27;s9;s30;d31;s31;s33;s34;s35;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H40N4O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2755 |
Area: | 700.515 |
Solvation: | -6.23738 |
Coulombic: | -64.8213 |
Bond Count [?]
All: | 44 |
Single: | 38 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 520.663 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 3.28 |
LogP (Chemaxon): | 2.29 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|