N-(4-chlorophenyl)-2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-chlorophenyl)-2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y501-0918 |
| Compound Name: | N-(4-chlorophenyl)-2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 427.95 |
| Molecular Formula: | C21 H22 Cl N5 O S |
| Smiles: | Cc1ccc(cc1)NCc1nnc(n1CC=C)SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4781 |
| logD: | 4.478 |
| logSw: | -4.5563 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.851 |
| InChI Key: | ZQNPAASLSLJOJN-UHFFFAOYSA-N |