5-[3-(1,3-benzothiazol-2-yl)propanoyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-[3-(1,3-benzothiazol-2-yl)propanoyl]-1,5-diazacycloundecan-2-one
5-[3-(1,3-benzothiazol-2-yl)propanoyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S782-0097 |
| Compound Name: | 5-[3-(1,3-benzothiazol-2-yl)propanoyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 359.49 |
| Molecular Formula: | C19 H25 N3 O2 S |
| Smiles: | C1CCCN(CCC(NCC1)=O)C(CCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2704 |
| logD: | 2.2704 |
| logSw: | -2.5985 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.93 |
| InChI Key: | CBJCJEWXICZHGB-UHFFFAOYSA-N |