methyl 4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate
Chemical Structure Depiction of
methyl 4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate
methyl 4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate
Compound characteristics
| Compound ID: | 4285-0414 |
| Compound Name: | methyl 4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C25 H21 N O4 |
| Smiles: | Cc1cc(ccc1n1c(C)cc(C=C2C(c3ccccc3C2=O)=O)c1C)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7325 |
| logD: | 4.7325 |
| logSw: | -4.6414 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.084 |
| InChI Key: | FKHATEQSSCACRX-UHFFFAOYSA-N |