6-(2-phenylethyl)-1-(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
6-(2-phenylethyl)-1-(prop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-(2-phenylethyl)-1-(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: | 8017-2511 |
| Compound Name: | 6-(2-phenylethyl)-1-(prop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C17 H20 N4 O S |
| Smiles: | C=CCN1C2=C(CN(CCc3ccccc3)CN2)C(NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0831 |
| logD: | 2.0079 |
| logSw: | -2.6812 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.149 |
| InChI Key: | DOBBKMKPGIQFTD-UHFFFAOYSA-N |