N-(2-methylphenyl)-4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
N-(2-methylphenyl)-4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
Compound characteristics
| Compound ID: | SC66-0304 |
| Compound Name: | N-(2-methylphenyl)-4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C22 H31 N5 O2 |
| Smiles: | CC(C)Cn1cnnc1C1CN(CC12CCOCC2)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6229 |
| logD: | 2.6229 |
| logSw: | -2.8422 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.428 |
| InChI Key: | QREQKBDGTAGVEE-SFHVURJKSA-N |