2-({[5-acetyl-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl}methyl)benzonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-({[5-acetyl-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl}methyl)benzonitrile--hydrogen chloride (1/1)
2-({[5-acetyl-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl}methyl)benzonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3270-0820 |
| Compound Name: | 2-({[5-acetyl-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl}methyl)benzonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 478.01 |
| Molecular Formula: | C26 H23 N3 O2 S |
| Salt: | HCl |
| Smiles: | CC1=C(C(c2c(ccc3ccccc23)OC)N=C(N1)SCc1ccccc1C#N)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0289 |
| logD: | 4.3932 |
| logSw: | -5.5387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.313 |
| InChI Key: | FTVVYLCMCNFUBV-VWLOTQADSA-N |