1-(4-fluorophenyl)-6-(3-phenylpropyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-6-(3-phenylpropyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-(4-fluorophenyl)-6-(3-phenylpropyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8018-0786 |
| Compound Name: | 1-(4-fluorophenyl)-6-(3-phenylpropyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H21 F N4 O S |
| Smiles: | C(Cc1ccccc1)CN1CC2=C(NC1)N(C(NC2=O)=S)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.3047 |
| logD: | 3.25 |
| logSw: | -3.5761 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.287 |
| InChI Key: | LVKOWVMIBKEQRE-UHFFFAOYSA-N |