3-[(4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Chemical Structure Depiction of
3-[(4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
3-[(4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 3699-1054 |
| Compound Name: | 3-[(4-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid |
| Molecular Weight: | 516.57 |
| Molecular Formula: | C28 H24 N2 O6 S |
| Smiles: | CCc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OCc2cccc(c2)C(O)=O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7746 |
| logD: | 1.8771 |
| logSw: | -4.5824 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.581 |
| InChI Key: | NSXCZPBVUNHXKX-UHFFFAOYSA-N |