N-butyl-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-ethylacetamide
Chemical Structure Depiction of
N-butyl-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-ethylacetamide
N-butyl-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-ethylacetamide
Compound characteristics
| Compound ID: | K286-4175 |
| Compound Name: | N-butyl-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-ethylacetamide |
| Molecular Weight: | 538.75 |
| Molecular Formula: | C27 H30 N4 O2 S3 |
| Smiles: | CCCCN(CC)C(CSC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccc(C)c(C)c1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0599 |
| logD: | 6.0599 |
| logSw: | -5.2973 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 42.884 |
| InChI Key: | XJVASXWRSUKETQ-UHFFFAOYSA-N |