5-{3-[(1,3-dimethyl-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-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
5-{3-[(1,3-dimethyl-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: | 3699-0330 |
| Compound Name: | 5-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 425.4 |
| Molecular Formula: | C21 H19 N3 O7 |
| Smiles: | Cc1cc(C=C2C(N(C)C(N(C)C2=O)=O)=O)c(C)n1c1cc(cc(c1)C(O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2872 |
| logD: | -2.8227 |
| logSw: | -2.0872 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.607 |
| InChI Key: | AXZVLGVFVNRZQO-UHFFFAOYSA-N |