N-cyclopentyl-2-{[3-(4-ethoxyphenyl)-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-cyclopentyl-2-{[3-(4-ethoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-cyclopentyl-2-{[3-(4-ethoxyphenyl)-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: | K286-3643 |
| Compound Name: | N-cyclopentyl-2-{[3-(4-ethoxyphenyl)-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: | 552.74 |
| Molecular Formula: | C27 H28 N4 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(NC2CCCC2)=O)c2ccccc2C)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.1453 |
| logD: | 5.1453 |
| logSw: | -4.8932 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.34 |
| InChI Key: | SCBKHPODTCUAQI-UHFFFAOYSA-N |