2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | K286-4161 |
| Compound Name: | 2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 526.7 |
| Molecular Formula: | C25 H26 N4 O3 S3 |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCC(NCCCOC)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.1334 |
| logD: | 4.1334 |
| logSw: | -4.1485 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.882 |
| InChI Key: | QBYASDOVBBNPRF-UHFFFAOYSA-N |