4-(azepan-1-yl)-N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-4-oxobutanamide
Chemical Structure Depiction of
4-(azepan-1-yl)-N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-4-oxobutanamide
4-(azepan-1-yl)-N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-4-oxobutanamide
Compound characteristics
| Compound ID: | F782-1853 |
| Compound Name: | 4-(azepan-1-yl)-N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-4-oxobutanamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | [H]c1cc2c(cc1NC(CCC(N1CCCCCC1)=O)=O)nc(NC(C(C)C)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.4021 |
| logD: | 3.4018 |
| logSw: | -3.789 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.964 |
| InChI Key: | GWHLOFXTTIUJLB-UHFFFAOYSA-N |