3-methyl-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
3-methyl-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
3-methyl-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-0237 |
| Compound Name: | 3-methyl-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C21 H21 N3 O2 S2 |
| Smiles: | Cc1cccc(c1)C(Nc1ccc2c(c1)sc(n2)SCC(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5546 |
| logD: | 4.5525 |
| logSw: | -4.3225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.898 |
| InChI Key: | BAFZLBUTYSZQCQ-UHFFFAOYSA-N |