1-benzyl-6-(propan-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-benzyl-6-(propan-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-benzyl-6-(propan-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8018-9054 |
| Compound Name: | 1-benzyl-6-(propan-2-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 316.42 |
| Molecular Formula: | C16 H20 N4 O S |
| Smiles: | CC(C)N1CC2=C(NC1)N(Cc1ccccc1)C(NC2=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.2952 |
| logD: | 1.7303 |
| logSw: | -2.8005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.244 |
| InChI Key: | LRMXZRICKQRHHZ-UHFFFAOYSA-N |