methyl 4-(2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G856-7723 |
| Compound Name: | methyl 4-(2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C16 H15 N5 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nncn1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9513 |
| logD: | 1.9512 |
| logSw: | -2.4196 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.075 |
| InChI Key: | CBMMAYAKHDWHQM-UHFFFAOYSA-N |