N-{[4-(2-methoxyphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[4-(2-methoxyphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[4-(2-methoxyphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C592-3202 |
| Compound Name: | N-{[4-(2-methoxyphenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C26 H25 N5 O3 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(CNC(c2ccccc2)=O)n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6255 |
| logD: | 3.6255 |
| logSw: | -3.9552 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.852 |
| InChI Key: | WJNSSVUDFMXSHA-UHFFFAOYSA-N |