3-(1,3-benzothiazol-2-yl)-1-[4-(2-hydroxyethyl)-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-hydroxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
3-(1,3-benzothiazol-2-yl)-1-[4-(2-hydroxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
Compound characteristics
| Compound ID: | S726-0117 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-[4-(2-hydroxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C21 H28 N2 O3 S |
| Smiles: | C(CO)C1CCOC2(CCN(CC2)C(CCc2nc3ccccc3s2)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6728 |
| logD: | 2.6728 |
| logSw: | -2.8039 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.833 |
| InChI Key: | YYFJIGWBHMLXKQ-MRXNPFEDSA-N |