methyl 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0217 |
| Compound Name: | methyl 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C22 H21 Cl N2 O4 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(c3c(c4ccccc4[Cl])noc3C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0226 |
| logD: | 1.2403 |
| logSw: | -5.173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.179 |
| InChI Key: | AOFNCDIOWSNZCK-LLVKDONJSA-N |