5-(3-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-(3-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
5-(3-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 3699-0454 |
| Compound Name: | 5-(3-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 501.5 |
| Molecular Formula: | C27 H23 N3 O7 |
| Smiles: | CCc1ccc(cc1)N1C(C(=C\c2cc(C)n(c3cc(cc(c3)C(O)=O)C(O)=O)c2C)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8668 |
| logD: | -1.2431 |
| logSw: | -3.9345 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.872 |
| InChI Key: | QROUHJNPXMFNLE-UHFFFAOYSA-N |