3-benzoyl-2-{[2-(diethylamino)ethyl]sulfanyl}-6-hydroxy-5-pentylpyrimidin-4(3H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-benzoyl-2-{[2-(diethylamino)ethyl]sulfanyl}-6-hydroxy-5-pentylpyrimidin-4(3H)-one--hydrogen chloride (1/1)
3-benzoyl-2-{[2-(diethylamino)ethyl]sulfanyl}-6-hydroxy-5-pentylpyrimidin-4(3H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 2529-0024 |
| Compound Name: | 3-benzoyl-2-{[2-(diethylamino)ethyl]sulfanyl}-6-hydroxy-5-pentylpyrimidin-4(3H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 454.03 |
| Molecular Formula: | C22 H31 N3 O3 S |
| Salt: | HCl |
| Smiles: | CCCCCC1=C(N=C(N(C1=O)C(c1ccccc1)=O)SCCN(CC)CC)O |
| Stereo: | ACHIRAL |
| logP: | 3.8063 |
| logD: | 3.8063 |
| logSw: | -3.5914 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.209 |
| InChI Key: | ZMAZFFOIWHFNDE-UHFFFAOYSA-N |