N-(butan-2-yl)-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}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-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}acetamide
N-(butan-2-yl)-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}acetamide
Compound characteristics
| Compound ID: | K286-4171 |
| Compound Name: | N-(butan-2-yl)-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}acetamide |
| Molecular Weight: | 510.7 |
| Molecular Formula: | C25 H26 N4 O2 S3 |
| Smiles: | CCC(C)NC(CSC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccc(C)c(C)c1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0658 |
| logD: | 5.0658 |
| logSw: | -4.607 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.139 |
| InChI Key: | OUMYKNITDIFMHX-KRWDZBQOSA-N |