methyl 1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5752-2899 |
| Compound Name: | methyl 1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 488.63 |
| Molecular Formula: | C30 H36 N2 O4 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3cc(C)ccc3OC)c2C)C(N1CCC1CCCCC=1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1784 |
| logD: | 5.1784 |
| logSw: | -5.0083 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.275 |
| InChI Key: | LTVBMHUQRXHRPH-UHFFFAOYSA-N |