(pyrrolidin-1-yl)(2-sulfanyl-1,3-benzothiazol-5-yl)methanone
Chemical Structure Depiction of
(pyrrolidin-1-yl)(2-sulfanyl-1,3-benzothiazol-5-yl)methanone
(pyrrolidin-1-yl)(2-sulfanyl-1,3-benzothiazol-5-yl)methanone
Compound characteristics
| Compound ID: | 8011-8034 |
| Compound Name: | (pyrrolidin-1-yl)(2-sulfanyl-1,3-benzothiazol-5-yl)methanone |
| Molecular Weight: | 264.37 |
| Molecular Formula: | C12 H12 N2 O S2 |
| Smiles: | C1CCN(C1)C(c1ccc2c(c1)nc(S)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2322 |
| logD: | 2.2317 |
| logSw: | -2.7026 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.7724 |
| InChI Key: | IVYSYWZDWKLKOO-UHFFFAOYSA-N |