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 |