4-(1,3-benzothiazol-2-yl)-1-[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one
4-(1,3-benzothiazol-2-yl)-1-[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one
Compound characteristics
| Compound ID: | SD60-0131 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one |
| Molecular Weight: | 374.5 |
| Molecular Formula: | C20 H26 N2 O3 S |
| Smiles: | COCCC1CC2(CN(C2)C(CCCc2nc3ccccc3s2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2063 |
| logD: | 3.2063 |
| logSw: | -3.3296 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.581 |
| InChI Key: | DVBLXEHWTJZZBB-OAHLLOKOSA-N |