N-(2-chloro-4-methylphenyl)-2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(2-chloro-4-methylphenyl)-2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-6682 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 533.09 |
| Molecular Formula: | C23 H21 Cl N4 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C)C(=N2)SCC(Nc2ccc(C)cc2[Cl])=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.6233 |
| logD: | 4.6232 |
| logSw: | -4.6899 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.178 |
| InChI Key: | XZNRCSCILGKBPM-UHFFFAOYSA-N |