propyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0355 |
| Compound Name: | propyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 490.98 |
| Molecular Formula: | C24 H24 Cl F N2 O4 S |
| Smiles: | CCCOC(c1c2CCCCCc2sc1NC(c1c(c2c(cccc2[Cl])F)noc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9149 |
| logD: | 1.1932 |
| logSw: | -6.1796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.384 |
| InChI Key: | LLKUJCWMVBRMMP-UHFFFAOYSA-N |