2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-bis(2-hydroxyethyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-bis(2-hydroxyethyl)acetamide
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-bis(2-hydroxyethyl)acetamide
Compound characteristics
| Compound ID: | D419-0214 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-bis(2-hydroxyethyl)acetamide |
| Molecular Weight: | 432.93 |
| Molecular Formula: | C20 H21 Cl N4 O3 S |
| Smiles: | C(CO)N(CCO)C(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5684 |
| logD: | 2.5683 |
| logSw: | -3.028 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.207 |
| InChI Key: | FUJKXSWHAPIEFW-UHFFFAOYSA-N |