methyl 4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G865-0015 |
| Compound Name: | methyl 4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 328.77 |
| Molecular Formula: | C12 H12 N4 O3 S |
| Salt: | HCl |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3702 |
| logD: | 1.1609 |
| logSw: | -2.2242 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.715 |
| InChI Key: | KRTAEVOJJCQJPO-UHFFFAOYSA-N |