N-{[4-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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: | C592-3469 |
| Compound Name: | N-{[4-(4-fluorophenyl)-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: | 489.57 |
| Molecular Formula: | C19 H16 F N7 O2 S3 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3cccs3)=O)n2c2ccc(cc2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.285 |
| logD: | 2.2442 |
| logSw: | -2.7853 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.893 |
| InChI Key: | LEJSETRWHRWSAM-UHFFFAOYSA-N |