ethyl 3-[(2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate
Chemical Structure Depiction of
ethyl 3-[(2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate
ethyl 3-[(2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate
Compound characteristics
| Compound ID: | 8018-0243 |
| Compound Name: | ethyl 3-[(2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate |
| Molecular Weight: | 521.04 |
| Molecular Formula: | C27 H25 Cl N4 O3 S |
| Smiles: | CCOC(c1ccc(C)c(CNC(CSc2nnc(c3ccc(cc3)[Cl])n2c2ccccc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5343 |
| logD: | 6.5343 |
| logSw: | -6.2028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.938 |
| InChI Key: | PNJSIXGZQBZSNQ-UHFFFAOYSA-N |