Chemical ID: 5929708

Cc1ccn2c(c1)nc(c2NCc3ccccc3)c4ccccc4OC(=O)CCc5ccccc5
Chemical ID:
5929708
Name [?]:
[2-(9-benzylamino-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] 3-phenylpropanoate
SMILES [?]:
Cc1ccn2c(c1)nc(c2NCc3ccccc3)c4ccccc4OC(=O)CCc5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C30H27N3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:14.8884
Area:725.421
Solvation:-3.24715
Coulombic:-45.8261
Bond Count [?]
All:39
Single:25
Double:14
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:461.554
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.63
LogP (Chemaxon):6.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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