ChemDB: Chemical Search
Download
Chemical ID: 6007910
Chemical ID:
6007910
Name [?]:
1-phenyl-8-(2-phenylcyclopropyl)carbonyl-3-(pyrrolidin-1-ylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
c1ccc(cc1)C2CC2C(=O)N3CCC4(CC3)C(=O)N(CN4c5ccccc5)CC(=O)N6CCCC6
InChi [?]:
InChI=1/C29H34N4O3/c34-26(30-15-7-8-16-30)20-32-21-33(23-11-5-2-6-12-23)29(28(32)36)13-17-31(18-14-29)27(35)25-19-24(25)22-9-3-1-4-10-22/h1-6,9-12,24-25H,7-8,13-21H2
InChi Info:
AuxInfo=1/0/N:1,26,2,6,25,27,34,35,3,5,24,28,14,16,33,36,13,17,8,29,21,4,23,7,9,30,10,18,15,32,12,20,22,31,11,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:36cCCCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s7s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s15s21;s22;s23;d24;s25;d26;d23s27;s20;s29;d30;s30;s32;s33;s34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34N4O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.9442 |
Area: | 708.23 |
Solvation: | -5.76156 |
Coulombic: | -56.3597 |
Bond Count [?]
All: | 41 |
Single: | 32 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 486.605 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.82 |
LogP (Chemaxon): | 2.66 |
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 |
---|