N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | A0062179 |
| Compound Name: | N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C24 H23 N5 O3 S2 |
| Smiles: | Cc1cccc(c1)n1c(CNC(c2cccs2)=O)nnc1SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8788 |
| logD: | 3.8788 |
| logSw: | -4.0472 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.085 |
| InChI Key: | ZKPAMKACPFWOTR-UHFFFAOYSA-N |