N-(3-chloro-4-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M109-0621 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 471 |
| Molecular Formula: | C22 H19 Cl N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)c1c2c(C(N(C)C(=N2)SCC(Nc2ccc(C)c(c2)[Cl])=O)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.3949 |
| logD: | 5.3948 |
| logSw: | -5.9833 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.696 |
| InChI Key: | VHFBKQQAKINQQF-UHFFFAOYSA-N |