4-(1,3-benzothiazol-2-yl)-1-(1-hydroxy-1-methyl-7-azaspiro[3.5]nonan-7-yl)butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-(1-hydroxy-1-methyl-7-azaspiro[3.5]nonan-7-yl)butan-1-one
4-(1,3-benzothiazol-2-yl)-1-(1-hydroxy-1-methyl-7-azaspiro[3.5]nonan-7-yl)butan-1-one
Compound characteristics
| Compound ID: | S971-0061 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-(1-hydroxy-1-methyl-7-azaspiro[3.5]nonan-7-yl)butan-1-one |
| Molecular Weight: | 358.5 |
| Molecular Formula: | C20 H26 N2 O2 S |
| Smiles: | CC1(CCC12CCN(CC2)C(CCCc1nc2ccccc2s1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0533 |
| logD: | 3.0533 |
| logSw: | -3.1243 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.152 |
| InChI Key: | HKJWXIXMBDSXPB-IBGZPJMESA-N |