ethyl 4-(2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F595-0349 |
| Compound Name: | ethyl 4-(2-{[7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc2N(CCn12)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9218 |
| logD: | 3.8899 |
| logSw: | -3.9499 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.169 |
| InChI Key: | XPYGXCLTBNHOJQ-UHFFFAOYSA-N |