6-(butan-2-yl)-1-(4-methylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-(butan-2-yl)-1-(4-methylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-(butan-2-yl)-1-(4-methylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8019-0859 |
| Compound Name: | 6-(butan-2-yl)-1-(4-methylphenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C17 H22 N4 O S |
| Smiles: | CCC(C)N1CC2=C(NC1)N(C(NC2=O)=S)c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6941 |
| logD: | 2.4188 |
| logSw: | -3.1042 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.217 |
| InChI Key: | ZTAFPFYECZOOPH-LBPRGKRZSA-N |