4-[(2-methoxy-4-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2-methoxy-4-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
4-[(2-methoxy-4-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Compound characteristics
Compound ID: | 2897-1479 |
Compound Name: | 4-[(2-methoxy-4-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid |
Molecular Weight: | 502.55 |
Molecular Formula: | C27 H22 N2 O6 S |
Smiles: | Cc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)C(O)=O)\C(NC1=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2282 |
logD: | 1.2567 |
logSw: | -4.4527 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 83.581 |
InChI Key: | CLSIRBQMSXAGPB-UHFFFAOYSA-N |