4-(2,5-dimethyl-3-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(2,5-dimethyl-3-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
4-(2,5-dimethyl-3-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 5609-0393 |
| Compound Name: | 4-(2,5-dimethyl-3-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C25 H21 N3 O5 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2cc(C)n(c3ccc(cc3)C(O)=O)c2C)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4043 |
| logD: | 0.5181 |
| logSw: | -3.5389 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.464 |
| InChI Key: | UVYBUVXTOVILPS-UHFFFAOYSA-N |