methyl 4-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4207-3458 |
| Compound Name: | methyl 4-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C27 H32 N2 O5 |
| Smiles: | CCOc1ccc(cc1)n1c(C)cc(/C=C2/C(=C(C)N(CC3CCCO3)C2=O)C(=O)OC)c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4007 |
| logD: | 3.4007 |
| logSw: | -3.4985 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.553 |
| InChI Key: | DTCLHNIZXDJKIS-HSZRJFAPSA-N |