2-(4-{[1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Chemical Structure Depiction of
2-(4-{[1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
2-(4-{[1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Compound characteristics
| Compound ID: | 3699-1560 |
| Compound Name: | 2-(4-{[1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C22 H20 N2 O5 S |
| Smiles: | CC(C(O)=O)Oc1ccc(\C=C2/C(NC(N(C2=O)c2cc(C)cc(C)c2)=S)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5122 |
| logD: | -0.4871 |
| logSw: | -3.8427 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.425 |
| InChI Key: | JVWBRFXQMKNNSY-AWEZNQCLSA-N |