Chemical ID: 5929701

CCCCCC(=O)Oc1ccccc1c2c(n3ccc(cc3n2)C)NCc4ccccc4
Chemical ID:
5929701
Name [?]:
[2-(9-benzylamino-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] hexanoate
SMILES [?]:
CCCCCC(=O)Oc1ccccc1c2c(n3ccc(cc3n2)C)NCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H29N3O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.4514
Area:697.178
Solvation:-2.97805
Coulombic:-45.0572
Bond Count [?]
All:35
Single:24
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:427.538
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.89
LogP (Chemaxon):6.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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