5-heptyl-6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3-phenylpyrimidin-4(3H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-heptyl-6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3-phenylpyrimidin-4(3H)-one--hydrogen chloride (1/1)
5-heptyl-6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3-phenylpyrimidin-4(3H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3984-0016 |
| Compound Name: | 5-heptyl-6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3-phenylpyrimidin-4(3H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 468.06 |
| Molecular Formula: | C23 H33 N3 O3 S |
| Salt: | HCl |
| Smiles: | CCCCCCCC1=C(N=C(N(C1=O)c1ccccc1)SCCN1CCOCC1)O |
| Stereo: | ACHIRAL |
| logP: | 4.1454 |
| logD: | 4.1454 |
| logSw: | -3.8757 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.221 |
| InChI Key: | BKTJLAPGOSVEDD-UHFFFAOYSA-N |