methyl 4-(2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | Y600-0262 |
| Compound Name: | methyl 4-(2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc(c2cccnc2)n1C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6958 |
| logD: | 3.6876 |
| logSw: | -3.6757 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.387 |
| InChI Key: | GEGQKPUELFEZCV-UHFFFAOYSA-N |