6-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8017-2146 |
| Compound Name: | 6-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C19 H16 Cl F N4 O S |
| Smiles: | C1C2=C(NCN1Cc1ccccc1[Cl])N(C(NC2=O)=S)c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 3.2137 |
| logD: | 3.21 |
| logSw: | -3.5071 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.309 |
| InChI Key: | BRUVXDLOYPBXIB-UHFFFAOYSA-N |