2-[(5-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
Chemical Structure Depiction of
2-[(5-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
2-[(5-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
Compound characteristics
Compound ID: | Y010-0770 |
Compound Name: | 2-[(5-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid |
Molecular Weight: | 442.51 |
Molecular Formula: | C20 H18 N4 O4 S2 |
Smiles: | Cc1cccc(C)c1NC(CSc1nnc(NC(c2ccccc2C(O)=O)=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 3.3264 |
logD: | -1.1165 |
logSw: | -3.5837 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 96.126 |
InChI Key: | NMAHAKXBEOXTSJ-UHFFFAOYSA-N |