3-(1H-benzimidazol-2-yl)-1-{4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}propan-1-one
Chemical Structure Depiction of
3-(1H-benzimidazol-2-yl)-1-{4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}propan-1-one
3-(1H-benzimidazol-2-yl)-1-{4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}propan-1-one
Compound characteristics
| Compound ID: | SC66-0347 |
| Compound Name: | 3-(1H-benzimidazol-2-yl)-1-{4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}propan-1-one |
| Molecular Weight: | 436.56 |
| Molecular Formula: | C24 H32 N6 O2 |
| Smiles: | CC(C)Cn1cnnc1C1CN(CC12CCOCC2)C(CCc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1683 |
| logD: | 2.1008 |
| logSw: | -2.5224 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.059 |
| InChI Key: | YZCALBHCRLSZCE-SFHVURJKSA-N |