6-benzyl-1-(3-chlorophenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-benzyl-1-(3-chlorophenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-benzyl-1-(3-chlorophenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8017-4869 |
| Compound Name: | 6-benzyl-1-(3-chlorophenyl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 384.89 |
| Molecular Formula: | C19 H17 Cl N4 O S |
| Smiles: | C1C2=C(NCN1Cc1ccccc1)N(C(NC2=O)=S)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1398 |
| logD: | 3.128 |
| logSw: | -3.5379 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.309 |
| InChI Key: | PGTSQFVDXSFLHJ-UHFFFAOYSA-N |