6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8017-1132 |
| Compound Name: | 6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CC(=C)CN1C2=C(CN(CCc3ccc(c(c3)OC)OC)CN2)C(NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2048 |
| logD: | 2.162 |
| logSw: | -2.9085 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.431 |
| InChI Key: | IIXJJEFOHUDDQM-UHFFFAOYSA-N |