3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-[(thiophen-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-[(thiophen-2-yl)methyl]propanamide
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-[(thiophen-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | F952-2866 |
| Compound Name: | 3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-[(thiophen-2-yl)methyl]propanamide |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C21 H25 N3 O4 S3 |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)SC(N2CCC(NCc1cccs1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.009 |
| logD: | 4.009 |
| logSw: | -4.0573 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.322 |
| InChI Key: | NTODMMVKMKBZRM-UHFFFAOYSA-N |