2-(4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Chemical Structure Depiction of
2-(4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
2-(4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Compound characteristics
| Compound ID: | 3699-1931 |
| Compound Name: | 2-(4-{[1-(4-ethylphenyl)-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: | CCc1ccc(cc1)N1C(C(=C\c2ccc(cc2)OC(C)C(O)=O)\C(NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4076 |
| logD: | -0.5917 |
| logSw: | -3.6535 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.425 |
| InChI Key: | MPJDNUYJFTXQPH-ZDUSSCGKSA-N |