4-({4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
4-({4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 2897-1478 |
| Compound Name: | 4-({4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid |
| Molecular Weight: | 488.52 |
| Molecular Formula: | C26 H20 N2 O6 S |
| Smiles: | COc1cc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)ccc1OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6832 |
| logD: | 0.7117 |
| logSw: | -4.1674 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.581 |
| InChI Key: | BAEWVRCZPNAXDJ-UHFFFAOYSA-N |