1-[2-{[(4-fluorophenyl)methyl]sulfanyl}-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidin-5-yl]ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[2-{[(4-fluorophenyl)methyl]sulfanyl}-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidin-5-yl]ethan-1-one--hydrogen chloride (1/1)
1-[2-{[(4-fluorophenyl)methyl]sulfanyl}-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidin-5-yl]ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8009-0676 |
| Compound Name: | 1-[2-{[(4-fluorophenyl)methyl]sulfanyl}-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidin-5-yl]ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 470.99 |
| Molecular Formula: | C25 H23 F N2 O2 S |
| Salt: | HCl |
| Smiles: | CC1=C(C(c2c(ccc3ccccc23)OC)N=C(N1)SCc1ccc(cc1)F)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.978 |
| logD: | 4.3423 |
| logSw: | -5.5801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.257 |
| InChI Key: | NOBPYJFWIRGTQQ-DEOSSOPVSA-N |