5-(2,5-dimethyl-3-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-(2,5-dimethyl-3-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
5-(2,5-dimethyl-3-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 3699-1103 |
| Compound Name: | 5-(2,5-dimethyl-3-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 487.47 |
| Molecular Formula: | C26 H21 N3 O7 |
| Smiles: | Cc1ccc(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: | 3.3595 |
| logD: | -1.7504 |
| logSw: | -3.3019 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.872 |
| InChI Key: | KJRLODIKLNROKQ-CIAFOILYSA-N |