N-(3-chloro-4-fluorophenyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
Compound characteristics
| Compound ID: | SC66-0163 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide |
| Molecular Weight: | 393.85 |
| Molecular Formula: | C18 H21 Cl F N5 O2 |
| Smiles: | Cn1cnnc1C1CN(CC12CCOCC2)C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8833 |
| logD: | 1.8827 |
| logSw: | -3.0818 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.682 |
| InChI Key: | PVOJJCAQZTULFR-ZDUSSCGKSA-N |