N-{[4-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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: | K400-10183 |
| Compound Name: | N-{[4-(3,4-dichlorophenyl)-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: | 540.47 |
| Molecular Formula: | C19 H15 Cl2 N7 O2 S3 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3cccs3)=O)n2c2ccc(c(c2)[Cl])[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5641 |
| logD: | 3.5234 |
| logSw: | -3.8182 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.893 |
| InChI Key: | IYLKBMAMSXWNPI-UHFFFAOYSA-N |