Chemical ID: 5930131

Cc1cccn2c1nc(c2NCc3ccccc3)c4ccccc4OC(=O)C(C)C
Chemical ID:
5930131
Name [?]:
[2-(9-benzylamino-5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] 2-methylpropanoate
SMILES [?]:
Cc1cccn2c1nc(c2NCc3ccccc3)c4ccccc4OC(=O)C(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H25N3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.4051
Area:611.325
Solvation:-2.87804
Coulombic:-45.0441
Bond Count [?]
All:33
Single:22
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:399.485
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.27
LogP (Chemaxon):5.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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