N-{[4-(3-methylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[4-(3-methylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[4-(3-methylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | C592-3731 |
| Compound Name: | N-{[4-(3-methylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C20 H18 N6 O3 S2 |
| Smiles: | Cc1cccc(c1)n1c(CNC(c2ccco2)=O)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3839 |
| logD: | 2.3835 |
| logSw: | -2.7572 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.58 |
| InChI Key: | JWPVTEVAWOMSIY-UHFFFAOYSA-N |