Chemical ID: 6149489

CC1=C(C(n2c(nc(n2)c3cccs3)N1)c4cccc(c4)OC)C(=O)Nc5cccnc5
Chemical ID:
6149489
Name [?]:
2-(3-methoxyphenyl)-4-methyl-N-(3-pyridyl)-8-(2-thienyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-triene-3-carboxamide
SMILES [?]:
CC1=C(C(n2c(nc(n2)c3cccs3)N1)c4cccc(c4)OC)C(=O)Nc5cccnc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20N6O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.4466
Area:650.031
Solvation:-4.80419
Coulombic:-58.1238
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:444.51
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.81
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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