ethyl 4-(3-{[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
ethyl 4-(3-{[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
Compound ID: | 3288-0053 |
Compound Name: | ethyl 4-(3-{[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
Molecular Weight: | 517.6 |
Molecular Formula: | C28 H27 N3 O5 S |
Smiles: | CCOC(c1ccc(cc1)n1c(C)cc(/C=C2/C(NC(N(C2=O)c2cccc(c2)OCC)=S)=O)c1C)=O |
Stereo: | ACHIRAL |
logP: | 4.713 |
logD: | 4.6573 |
logSw: | -4.4427 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.77 |
InChI Key: | HBNMEXRPEWECMJ-UHFFFAOYSA-N |