2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | L349-0668 |
| Compound Name: | 2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C16 H18 N2 O3 S3 |
| Smiles: | Cc1ccc(cc1)S(c1c(SCC(N2CCCC2)=O)scn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4036 |
| logD: | 3.4036 |
| logSw: | -3.6201 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.4 |
| InChI Key: | QUXXSOLWUMCESV-UHFFFAOYSA-N |