methyl 4-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G731-0125 |
| Compound Name: | methyl 4-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C18 H16 N4 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc(c2ccccc2)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8464 |
| logD: | 1.6547 |
| logSw: | -3.493 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.797 |
| InChI Key: | PVHOOAFMIHBYAM-UHFFFAOYSA-N |