Chemical ID: 3844233

COc1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)C(=O)OC)c4ccccc4
Chemical ID:
3844233
Name [?]:
methyl 4-[2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
COc1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)C(=O)OC)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22N4O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.8851
Area:722.119
Solvation:-5.16791
Coulombic:-60.8733
Bond Count [?]
All:37
Single:24
Double:13
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:474.533
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.95
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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