1-(2,3-dimethylphenyl)-6-(prop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-6-(prop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-(2,3-dimethylphenyl)-6-(prop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0192 |
| Compound Name: | 1-(2,3-dimethylphenyl)-6-(prop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C17 H20 N4 O S |
| Smiles: | Cc1cccc(c1C)N1C2=C(CN(CC=C)CN2)C(NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5315 |
| logD: | 2.5009 |
| logSw: | -2.6581 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.258 |
| InChI Key: | HFSOIIWJPOXFBX-UHFFFAOYSA-N |