tert-butyl ({4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
tert-butyl ({4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)acetate
tert-butyl ({4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | V007-6527 |
| Compound Name: | tert-butyl ({4-ethyl-1-methyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C21 H28 N2 O3 S |
| Smiles: | CCC1=C(Cc2cccc(C)c2)C(N(C)C(=N1)SCC(=O)OC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6199 |
| logD: | 4.6199 |
| logSw: | -4.5413 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.335 |
| InChI Key: | NTPUTGRMDKNKQF-UHFFFAOYSA-N |