N-butyl-N-ethyl-2-{[3-(4-ethylphenyl)-6-(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-butyl-N-ethyl-2-{[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-butyl-N-ethyl-2-{[3-(4-ethylphenyl)-6-(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: | K286-3685 |
| Compound Name: | N-butyl-N-ethyl-2-{[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 552.78 |
| Molecular Formula: | C28 H32 N4 O2 S3 |
| Smiles: | CCCCN(CC)C(CSC1=NC2=C(C(N1c1ccccc1C)=O)SC(N2c1ccc(CC)cc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4077 |
| logD: | 6.4077 |
| logSw: | -5.6225 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 42.583 |
| InChI Key: | NIGWLAPKTRXDPR-UHFFFAOYSA-N |