4-[({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
4-[({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzonitrile
4-[({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | V026-6801 |
| Compound Name: | 4-[({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C22 H21 N3 O S |
| Salt: | not_available |
| Smiles: | CC1=C(Cc2cccc(C)c2)C(N(C)C(=N1)SCc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9657 |
| logD: | 3.9657 |
| logSw: | -4.0869 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.244 |
| InChI Key: | QUTPAHHVCYAAKK-UHFFFAOYSA-N |