4-[(4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
4-[(4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2897-1487 |
| Compound Name: | 4-[(4-{[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid |
| Molecular Weight: | 532.57 |
| Molecular Formula: | C28 H24 N2 O7 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)C(O)=O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1737 |
| logD: | 1.2022 |
| logSw: | -4.3954 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.705 |
| InChI Key: | AYWSOTDHBNFIEV-UHFFFAOYSA-N |