Chemical ID: 6837294

CC1=C(C(n2c(nc(n2)c3ccccc3)N1)c4cc[nH+]cc4)C(=O)Nc5ccc(cc5)OC
Chemical ID:
6837294
Name [?]:
N-(4-methoxyphenyl)-4-methyl-8-phenyl-2-(1H-pyridin-4-yl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-triene-3-carboxamide
SMILES [?]:
CC1=C(C(n2c(nc(n2)c3ccccc3)N1)c4cc[nH+]cc4)C(=O)Nc5ccc(cc5)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H23N6O2+
All Atoms:56
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-21.1359
Area:653.552
Solvation:-37.4747
Coulombic:-43.3162
Bond Count [?]
All:37
Single:24
Double:13
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:439.489
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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