N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | A0062189 |
| Compound Name: | N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide |
| Molecular Weight: | 509.61 |
| Molecular Formula: | C24 H23 N5 O4 S2 |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(CNC(c2cccs2)=O)n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1879 |
| logD: | 3.1879 |
| logSw: | -3.7424 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.415 |
| InChI Key: | PCPOCHFAKYDEOA-UHFFFAOYSA-N |