1-(4-methoxyphenyl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-(4-methoxyphenyl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8019-1646 |
| Compound Name: | 1-(4-methoxyphenyl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | COc1ccc(cc1)N1C2=C(CN(CCc3ccccc3)CN2)C(NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7059 |
| logD: | 2.6835 |
| logSw: | -3.1632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.831 |
| InChI Key: | HSIBHTORJFUVNB-UHFFFAOYSA-N |