5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3709 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 540.7 |
| Molecular Formula: | C26 H25 F N4 O2 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(N(C(=N2)SCC(N2CCCCCC2)=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.1236 |
| logD: | 5.1236 |
| logSw: | -4.8449 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.377 |
| InChI Key: | HANZWMNLHBYNTC-UHFFFAOYSA-N |