Chemical ID: 5929721

Cc1ccn2c(c1)nc(c2NCc3ccccc3)c4ccccc4OC(=O)COC
Chemical ID:
5929721
Name [?]:
[2-(9-benzylamino-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] 2-methoxyacetate
SMILES [?]:
Cc1ccn2c(c1)nc(c2NCc3ccccc3)c4ccccc4OC(=O)COC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H23N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.0502
Area:635.081
Solvation:-4.82684
Coulombic:-52.5361
Bond Count [?]
All:33
Single:22
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:401.458
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.41
LogP (Chemaxon):4.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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