methyl 3-[({1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[({1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzoate
methyl 3-[({1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V026-9056 |
| Compound Name: | methyl 3-[({1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C23 H24 N2 O3 S |
| Salt: | not_available |
| Smiles: | CC1=C(Cc2ccccc2C)C(N(C)C(=N1)SCc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6812 |
| logD: | 4.6812 |
| logSw: | -4.6305 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.362 |
| InChI Key: | XVRQUAWMAFXHDN-UHFFFAOYSA-N |