3-(1,3-benzothiazol-2-yl)-1-(4-{2-[(pyridin-4-yl)oxy]ethyl}-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-(4-{2-[(pyridin-4-yl)oxy]ethyl}-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
3-(1,3-benzothiazol-2-yl)-1-(4-{2-[(pyridin-4-yl)oxy]ethyl}-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
Compound characteristics
| Compound ID: | S726-1291 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-(4-{2-[(pyridin-4-yl)oxy]ethyl}-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | C(COc1ccncc1)C1CCOC2(CCN(CC2)C(CCc2nc3ccccc3s2)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.76 |
| logD: | 3.7598 |
| logSw: | -3.9495 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.751 |
| InChI Key: | JKBAJWCNCLKNQD-HXUWFJFHSA-N |