3-({2-chloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid
Chemical Structure Depiction of
3-({2-chloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid
3-({2-chloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 4376-0359 |
| Compound Name: | 3-({2-chloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid |
| Molecular Weight: | 446.86 |
| Molecular Formula: | C20 H15 Cl N2 O6 S |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=S)=O)cc(c1OCc1cccc(c1)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0631 |
| logD: | 1.1656 |
| logSw: | -4.2438 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.065 |
| InChI Key: | LGEMWJGYAFMFNQ-UHFFFAOYSA-N |