ChemDB: Chemical Search
Download
Chemical ID: 5998321
Chemical ID:
5998321
Name [?]:
2-[8-(1-adamantylcarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-(2-methoxyethyl)acetamide
SMILES [?]:
COCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)c6ccccc6
InChi [?]:
InChI=1/C29H40N4O4/c1-37-12-9-30-25(34)19-32-20-33(24-5-3-2-4-6-24)29(27(32)36)7-10-31(11-8-29)26(35)28-16-21-13-22(17-28)15-23(14-21)18-28/h2-6,21-23H,7-20H2,1H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,35,34,36,33,37,15,19,4,16,18,3,25,28,30,27,23,31,8,10,26,24,29,32,6,20,13,22,12,5,17,9,11,7,21,14,2/E:(3,4)(5,6)(7,8)(10,11)(13,14,15)(16,17,18)(21,22,23)/rA:37cCOCCNCOCNCNCCOCCNCCCOCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s23;s24;s25;s22s26;s26;s28;s24s29;s22s29;s11;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H40N4O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7309 |
Area: | 710.406 |
Solvation: | -6.02922 |
Coulombic: | -69.6656 |
Bond Count [?]
All: | 42 |
Single: | 36 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 508.652 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.35 |
LogP (Chemaxon): | 2.22 |
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 |
---|