4-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
4-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 3969-0762 |
| Compound Name: | 4-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C20 H19 N3 O5 |
| Smiles: | Cc1cc(C=C2C(N(C)C(N(C)C2=O)=O)=O)c(C)n1c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3319 |
| logD: | -0.5543 |
| logSw: | -2.6002 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.199 |
| InChI Key: | WKPXMCLTUSSQER-UHFFFAOYSA-N |