2-{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
2-{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]butanamide
2-{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K286-4206 |
| Compound Name: | 2-{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 552.74 |
| Molecular Formula: | C27 H28 N4 O3 S3 |
| Smiles: | CCC(C(NCC1CCCO1)=O)SC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccccc1C)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6181 |
| logD: | 4.6181 |
| logSw: | -4.3177 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.993 |
| InChI Key: | HEWYCDCPADYURB-UHFFFAOYSA-N |