2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F143-0312 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 489.04 |
| Molecular Formula: | C21 H17 Cl N4 O2 S3 |
| Smiles: | Cc1cccc(c1)NC(CSC1=NC2=C(C(N1C)=O)SC(N2c1ccc(cc1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4852 |
| logD: | 4.4852 |
| logSw: | -4.5686 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.753 |
| InChI Key: | NESUHTUWPCNBPP-UHFFFAOYSA-N |