ethyl 4-(2-{[5-(cyclohexylmethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(cyclohexylmethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-(cyclohexylmethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | Y205-6630 |
| Compound Name: | ethyl 4-(2-{[5-(cyclohexylmethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C22 H30 N4 O3 S |
| Smiles: | CCn1c(CC2CCCCC2)nnc1SCC(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9326 |
| logD: | 4.9323 |
| logSw: | -4.4797 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.037 |
| InChI Key: | BIDLPWDTLARLBP-UHFFFAOYSA-N |