ethyl 3-(2,5-dimethyl-3-{[1-(3-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 3-(2,5-dimethyl-3-{[1-(3-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate
ethyl 3-(2,5-dimethyl-3-{[1-(3-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3972-0723 |
| Compound Name: | ethyl 3-(2,5-dimethyl-3-{[1-(3-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | CCOC(c1cccc(c1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2cccc(C)c2)=S)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6234 |
| logD: | 4.6011 |
| logSw: | -4.3613 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.647 |
| InChI Key: | FPSIBKJWMNXOND-UHFFFAOYSA-N |