6-(3-phenylpropyl)-2-sulfanylidene-1-[(thiophen-2-yl)methyl]-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-(3-phenylpropyl)-2-sulfanylidene-1-[(thiophen-2-yl)methyl]-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-(3-phenylpropyl)-2-sulfanylidene-1-[(thiophen-2-yl)methyl]-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8213-0077 |
| Compound Name: | 6-(3-phenylpropyl)-2-sulfanylidene-1-[(thiophen-2-yl)methyl]-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 398.55 |
| Molecular Formula: | C20 H22 N4 O S2 |
| Smiles: | C(Cc1ccccc1)CN1CC2=C(NC1)N(Cc1cccs1)C(NC2=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.4077 |
| logD: | 3.2545 |
| logSw: | -3.6837 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.917 |
| InChI Key: | CCBXEVUJRXGBJJ-UHFFFAOYSA-N |