1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethan-1-one
1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SC66-0546 |
| Compound Name: | 1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | CCn1cnnc1C1CN(CC12CCOCC2)C(Cc1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.803 |
| logD: | 1.8029 |
| logSw: | -2.0951 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.502 |
| InChI Key: | YYCWJSIAUNELQO-SFHVURJKSA-N |