2-({5-[(3,4-dichloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(3,4-dichloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
2-({5-[(3,4-dichloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8014-4713 |
| Compound Name: | 2-({5-[(3,4-dichloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 462.4 |
| Molecular Formula: | C21 H21 Cl2 N5 O S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc(CNc2ccc(c(c2)[Cl])[Cl])n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2301 |
| logD: | 5.2301 |
| logSw: | -5.7287 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.851 |
| InChI Key: | XNBIEKCOXJFRTJ-UHFFFAOYSA-N |