1-(3-methylphenyl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-(3-methylphenyl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-(3-methylphenyl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0077 |
| Compound Name: | 1-(3-methylphenyl)-6-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C21 H22 N4 O S |
| Smiles: | Cc1cccc(c1)N1C2=C(CN(CCc3ccccc3)CN2)C(NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.222 |
| logD: | 3.1995 |
| logSw: | -3.4107 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.287 |
| InChI Key: | LGZMQSCFMWYYJY-UHFFFAOYSA-N |