Chemical ID: 4614762

COc1ccc(cc1)C(=O)Nc2c(nc3n2cc(cc3Br)Br)c4ccccc4
Chemical ID:
4614762
Name [?]:
N-(2,4-dibromo-8-phenyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-yl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2c(nc3n2cc(cc3Br)Br)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H15Br2N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4172
Area:607.008
Solvation:-3.75803
Coulombic:-42.5123
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:501.171
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.75
LogP (Chemaxon):5.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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