Chemical ID: 5930268

CCc1ccc(cc1)C(=O)Oc2cccc(c2)c3c(n4cc(ccc4n3)Br)NC5CCCCC5
Chemical ID:
5930268
Name [?]:
[3-(3-bromo-9-cyclohexylamino-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] 4-ethylbenzoate
SMILES [?]:
CCc1ccc(cc1)C(=O)Oc2cccc(c2)c3c(n4cc(ccc4n3)Br)NC5CCCCC5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H28BrN3O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:15.4774
Area:705.828
Solvation:-2.16828
Coulombic:-47.1211
Bond Count [?]
All:38
Single:27
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:518.445
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:8.03
LogP (Chemaxon):7.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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