4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
Compound characteristics
| Compound ID: | SC68-0169 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one |
| Molecular Weight: | 437.61 |
| Molecular Formula: | C24 H31 N5 O S |
| Smiles: | CCn1cnnc1C1CN(CC12CCCCC2)C(CCCc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4706 |
| logD: | 3.4701 |
| logSw: | -3.6744 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.81 |
| InChI Key: | BJOXYQSUBIKEEL-SFHVURJKSA-N |