methyl 4-[2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8012-9868 |
| Compound Name: | methyl 4-[2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 508 |
| Molecular Formula: | C25 H22 Cl N5 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc(CNc2ccc(cc2)[Cl])n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7702 |
| logD: | 4.7702 |
| logSw: | -4.9825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.518 |
| InChI Key: | PRPUGCAANGDOIV-UHFFFAOYSA-N |