Chemical ID: 5930081

CCC(=O)Oc1ccccc1c2c(n3cc(ccc3n2)Br)NCc4ccccc4
Chemical ID:
5930081
Name [?]:
[2-(9-benzylamino-3-bromo-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] propanoate
SMILES [?]:
CCC(=O)Oc1ccccc1c2c(n3cc(ccc3n2)Br)NCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20BrN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.7348
Area:624.114
Solvation:-2.86804
Coulombic:-44.1842
Bond Count [?]
All:32
Single:21
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:450.328
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.54
LogP (Chemaxon):5.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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