methyl 4-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G731-0268 |
| Compound Name: | methyl 4-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 402.86 |
| Molecular Formula: | C18 H15 Cl N4 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc(c2ccccc2[Cl])[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2201 |
| logD: | 2.0284 |
| logSw: | -3.811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.797 |
| InChI Key: | UXDRGADJVHXCPC-UHFFFAOYSA-N |