2-{[2-(dimethylamino)ethyl]sulfanyl}-5-heptyl-6-hydroxy-3-phenylpyrimidin-4(3H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{[2-(dimethylamino)ethyl]sulfanyl}-5-heptyl-6-hydroxy-3-phenylpyrimidin-4(3H)-one--hydrogen chloride (1/1)
2-{[2-(dimethylamino)ethyl]sulfanyl}-5-heptyl-6-hydroxy-3-phenylpyrimidin-4(3H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3772-1777 |
| Compound Name: | 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-heptyl-6-hydroxy-3-phenylpyrimidin-4(3H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 426.02 |
| Molecular Formula: | C21 H31 N3 O2 S |
| Salt: | HCl |
| Smiles: | CCCCCCCC1=C(N=C(N(C1=O)c1ccccc1)SCCN(C)C)O |
| Stereo: | ACHIRAL |
| logP: | 4.3514 |
| logD: | 4.3514 |
| logSw: | -4.1154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.467 |
| InChI Key: | AGFLWWHQVPNOBV-UHFFFAOYSA-N |