5-(3-{[1-(3-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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: | 5552-1102 |
| Compound Name: | 5-(3-{[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 491.43 |
| Molecular Formula: | C25 H18 F N3 O7 |
| Smiles: | Cc1cc(/C=C2/C(NC(N(C2=O)c2cccc(c2)F)=O)=O)c(C)n1c1cc(cc(c1)C(O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0116 |
| logD: | -2.0983 |
| logSw: | -3.2512 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.872 |
| InChI Key: | KTJQGFGPGFRUQR-UHFFFAOYSA-N |