N-(4-methylphenyl)-2-{[3-(2-methylphenyl)-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-(4-methylphenyl)-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(4-methylphenyl)-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F092-0242 |
| Compound Name: | N-(4-methylphenyl)-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C21 H18 N4 O2 S3 |
| Smiles: | Cc1ccc(cc1)NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1374 |
| logD: | 4.1358 |
| logSw: | -4.2141 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.145 |
| InChI Key: | CGOXQMCBYNWKSI-UHFFFAOYSA-N |