2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M109-0604 |
| Compound Name: | 2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C23 H22 N4 O2 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c(c4ccc(C)cc4)nsc3C(N2C)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1094 |
| logD: | 4.1094 |
| logSw: | -4.1423 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.018 |
| InChI Key: | DMHSDQOXXGNNOQ-UHFFFAOYSA-N |