ethyl 4-(3-{[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-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-diphenyl-1H-pyrrol-1-yl)benzoate
ethyl 4-(3-{[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 2938-0303 |
| Compound Name: | ethyl 4-(3-{[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 641.75 |
| Molecular Formula: | C38 H31 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)n1c(cc(/C=C2/C(NC(N(C2=O)c2cccc(c2)OCC)=S)=O)c1c1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7699 |
| logD: | 7.5669 |
| logSw: | -5.7157 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.286 |
| InChI Key: | QQOLCOFIXZEJFE-UHFFFAOYSA-N |