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-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C200-6892 |
| 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-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 503.06 |
| Molecular Formula: | C22 H19 Cl N4 O2 S3 |
| Smiles: | Cc1ccc(CNC(CSC2=NC3=C(C(N2C)=O)SC(N3c2ccc(cc2)[Cl])=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2299 |
| logD: | 4.2299 |
| logSw: | -4.4996 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.075 |
| InChI Key: | VJCQEYFWRSOHTC-UHFFFAOYSA-N |