4-methoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-methoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-methoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-0255 |
| Compound Name: | 4-methoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C21 H21 N3 O3 S2 |
| Smiles: | COc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1659 |
| logD: | 4.1656 |
| logSw: | -4.181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.442 |
| InChI Key: | PFYHHOJZVBUPDP-UHFFFAOYSA-N |