methyl 4-({[7-(4-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[7-(4-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}methyl)benzoate
methyl 4-({[7-(4-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | F595-0082 |
| Compound Name: | methyl 4-({[7-(4-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C19 H17 F N4 O2 S |
| Smiles: | COC(c1ccc(CSc2nnc3N(CCn23)c2ccc(cc2)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7823 |
| logD: | 3.7674 |
| logSw: | -3.9852 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.896 |
| InChI Key: | DOSYDYYYJVANPN-UHFFFAOYSA-N |