4-({2-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 3684-0523 |
| Compound Name: | 4-({2-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H18 N2 O5 S |
| Smiles: | CN1C(C(=Cc2ccccc2OCc2ccc(cc2)C(O)=O)C(N(C)C1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6724 |
| logD: | -0.2991 |
| logSw: | -3.0706 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.54 |
| InChI Key: | YBLRXXRZNAPCRI-UHFFFAOYSA-N |