3-{2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}-2-methylbenzoic acid
Chemical Structure Depiction of
3-{2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}-2-methylbenzoic acid
3-{2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}-2-methylbenzoic acid
Compound characteristics
| Compound ID: | 5553-0470 |
| Compound Name: | 3-{2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}-2-methylbenzoic acid |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C19 H17 N3 O5 |
| Smiles: | Cc1c(cccc1n1c(C)cc(C=C2C(NC(NC2=O)=O)=O)c1C)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6433 |
| logD: | -2.9657 |
| logSw: | -2.3945 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.415 |
| InChI Key: | JYGJUZCGJWQTKR-UHFFFAOYSA-N |