methyl 2-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]benzoate
Chemical Structure Depiction of
methyl 2-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]benzoate
methyl 2-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | 4998-0434 |
| Compound Name: | methyl 2-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]benzoate |
| Molecular Weight: | 486.53 |
| Molecular Formula: | C27 H26 N4 O5 |
| Smiles: | Cc1ccc(cc1)NC(CN1C(/C(=C\c2cc(C)n(c3ccccc3C(=O)OC)c2C)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7549 |
| logD: | 3.7548 |
| logSw: | -4.0412 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.357 |
| InChI Key: | VDWWZSBNRWAHLU-UHFFFAOYSA-N |