1-(3-fluorophenyl)-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-(3-fluorophenyl)-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-(3-fluorophenyl)-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
Compound ID: | 8017-2142 |
Compound Name: | 1-(3-fluorophenyl)-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
Molecular Weight: | 320.39 |
Molecular Formula: | C15 H17 F N4 O S |
Smiles: | CCCN1CC2=C(NC1)N(C(NC2=O)=S)c1cccc(c1)F |
Stereo: | ACHIRAL |
logP: | 1.8566 |
logD: | 1.715 |
logSw: | -2.6549 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 40.559 |
InChI Key: | FQAXMYITAIAVPE-UHFFFAOYSA-N |