Chemical ID: 5140462

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=NNC(=O)c5ccncc5)C)C
Chemical ID:
5140462
Name [?]:
[10,13-dimethyl-17-(4-pyridylcarbonylaminoimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
SMILES [?]:
CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=NNC(=O)c5ccncc5)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H35N3O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:6
ZAP Information [?]
Total:12.046
Area:676.391
Solvation:-4.86377
Coulombic:-42.1885
Bond Count [?]
All:37
Single:30
Double:7
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:449.585
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.8
LogP (Chemaxon):4.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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