Chemical ID: 4500876

Cc1cc(ccc1NC(=O)CSc2nnc(n2C)CCNC(=O)c3ccc(cc3)OC)[N+](=O)[O-]
Chemical ID:
4500876
Name [?]:
4-methoxy-N-[2-[4-methyl-5-[(2-methyl-4-nitro-phenyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)CSc2nnc(n2C)CCNC(=O)c3ccc(cc3)OC)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24N6O5S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:8.1985
Area:760.206
Solvation:-10.8066
Coulombic:-70.8834
Bond Count [?]
All:36
Single:25
Double:11
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:484.529
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.77
LogP (Chemaxon):1.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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