1-(3-chlorophenyl)-6-(prop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-(3-chlorophenyl)-6-(prop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-(3-chlorophenyl)-6-(prop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8019-1155 |
| Compound Name: | 1-(3-chlorophenyl)-6-(prop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 334.82 |
| Molecular Formula: | C15 H15 Cl N4 O S |
| Smiles: | C=CCN1CC2=C(NC1)N(C(NC2=O)=S)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1995 |
| logD: | 2.1686 |
| logSw: | -3.3321 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.559 |
| InChI Key: | QLBWTKNMHDGAIS-UHFFFAOYSA-N |