N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[6-(4-fluorophenyl)-3-(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-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[6-(4-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[6-(4-fluorophenyl)-3-(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: | K286-3707 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[6-(4-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 566.74 |
| Molecular Formula: | C28 H27 F N4 O2 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(N(C(=N2)SCC(NCCC2CCCCC=2)=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.1913 |
| logD: | 5.1913 |
| logSw: | -4.9658 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.159 |
| InChI Key: | DINQXPQPJMDQHR-UHFFFAOYSA-N |