ethyl 4-{2-[(7-phenyl-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-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(7-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F595-0258 |
| Compound Name: | ethyl 4-{2-[(7-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc2N(CCn12)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8179 |
| logD: | 3.786 |
| logSw: | -3.8742 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.625 |
| InChI Key: | YNRUCYVXMBSQFB-UHFFFAOYSA-N |