N-{6-[4-(azepan-1-yl)-4-oxobutanamido]-1,3-benzothiazol-2-yl}benzamide
Chemical Structure Depiction of
N-{6-[4-(azepan-1-yl)-4-oxobutanamido]-1,3-benzothiazol-2-yl}benzamide
N-{6-[4-(azepan-1-yl)-4-oxobutanamido]-1,3-benzothiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | F259-0057 |
| Compound Name: | N-{6-[4-(azepan-1-yl)-4-oxobutanamido]-1,3-benzothiazol-2-yl}benzamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | C1CCCN(CC1)C(CCC(Nc1ccc2c(c1)sc(NC(c1ccccc1)=O)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8121 |
| logD: | 3.8095 |
| logSw: | -4.0138 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.692 |
| InChI Key: | OXKWMWSMXYWZSH-UHFFFAOYSA-N |