N-[5-(azepane-1-carbonyl)-2-methylphenyl]-1,2-benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[5-(azepane-1-carbonyl)-2-methylphenyl]-1,2-benzothiazole-3-carboxamide
N-[5-(azepane-1-carbonyl)-2-methylphenyl]-1,2-benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G795-0409 |
| Compound Name: | N-[5-(azepane-1-carbonyl)-2-methylphenyl]-1,2-benzothiazole-3-carboxamide |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | Cc1ccc(cc1NC(c1c2ccccc2sn1)=O)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3269 |
| logD: | 4.3269 |
| logSw: | -4.2138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.602 |
| InChI Key: | AIFFMPUWDRMGFH-UHFFFAOYSA-N |