methyl 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6048-0278 |
| Compound Name: | methyl 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 458.96 |
| Molecular Formula: | C23 H23 Cl N2 O4 S |
| Smiles: | Cc1c(C(Nc2c(C(=O)OC)c3CCCCCCc3s2)=O)c(c2ccccc2[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 5.5805 |
| logD: | 1.7982 |
| logSw: | -5.8986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.51 |
| InChI Key: | NUJFFMSJEGTTIG-UHFFFAOYSA-N |