6-butyl-1-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-butyl-1-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-butyl-1-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0121 |
| Compound Name: | 6-butyl-1-(2-phenylethyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 344.48 |
| Molecular Formula: | C18 H24 N4 O S |
| Smiles: | CCCCN1CC2=C(NC1)N(CCc1ccccc1)C(NC2=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.8731 |
| logD: | 1.8691 |
| logSw: | -3.3267 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.149 |
| InChI Key: | CAIWPAHNEKDVIK-UHFFFAOYSA-N |