Chemical ID: 5929401

CCCCCCC(=O)Oc1ccccc1c2c(n3ccc(cc3n2)C)NC4CCCCC4
Chemical ID:
5929401
Name [?]:
[2-(9-cyclohexylamino-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] heptanoate
SMILES [?]:
CCCCCCC(=O)Oc1ccccc1c2c(n3ccc(cc3n2)C)NC4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H35N3O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.9352
Area:695.013
Solvation:-2.44013
Coulombic:-44.8132
Bond Count [?]
All:35
Single:27
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:433.586
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.58
LogP (Chemaxon):6.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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