methyl 3-[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 3-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]benzoate
methyl 3-[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: | 4998-2560 |
| Compound Name: | methyl 3-[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(c3cccc(c3)C(=O)OC)c2C)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0556 |
| logD: | 4.0555 |
| logSw: | -4.0952 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.658 |
| InChI Key: | BDWQNTQKDZUSTI-UHFFFAOYSA-N |