N-{[4-(2,5-dimethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[4-(2,5-dimethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
N-{[4-(2,5-dimethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | A0062284 |
| Compound Name: | N-{[4-(2,5-dimethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C21 H21 N7 O4 S3 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3cccs3)=O)n2c2cc(ccc2OC)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.3462 |
| logD: | 2.3054 |
| logSw: | -2.912 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.766 |
| InChI Key: | LTBRBBTVUKOQDE-UHFFFAOYSA-N |