ethyl 1,3-dimethyl-2-(4-methylphenyl)-6-oxo-2,6-dihydrocyclohepta[c]pyrrole-5-carboxylate
Chemical Structure Depiction of
ethyl 1,3-dimethyl-2-(4-methylphenyl)-6-oxo-2,6-dihydrocyclohepta[c]pyrrole-5-carboxylate
ethyl 1,3-dimethyl-2-(4-methylphenyl)-6-oxo-2,6-dihydrocyclohepta[c]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | D719-0005 |
| Compound Name: | ethyl 1,3-dimethyl-2-(4-methylphenyl)-6-oxo-2,6-dihydrocyclohepta[c]pyrrole-5-carboxylate |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C21 H21 N O3 |
| Smiles: | CCOC(C1=Cc2c(C=CC1=O)c(C)n(c1ccc(C)cc1)c2C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8517 |
| logD: | 3.8517 |
| logSw: | -3.9891 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.932 |
| InChI Key: | ZWXHZDQAMSQSBG-UHFFFAOYSA-N |