1-(2-chlorophenyl)-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-(2-chlorophenyl)-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-(2-chlorophenyl)-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8017-0091 |
| Compound Name: | 1-(2-chlorophenyl)-6-propyl-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 336.84 |
| Molecular Formula: | C15 H17 Cl N4 O S |
| Smiles: | CCCN1CC2=C(NC1)N(C(NC2=O)=S)c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.2695 |
| logD: | 2.128 |
| logSw: | -3.1432 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.258 |
| InChI Key: | QMHRDHILGHTETB-UHFFFAOYSA-N |