4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2-(5-fluoro-2-methylbenzene-1-sulfonyl)-8-oxa-2-azaspiro[4.5]decane
Chemical Structure Depiction of
4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2-(5-fluoro-2-methylbenzene-1-sulfonyl)-8-oxa-2-azaspiro[4.5]decane
4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2-(5-fluoro-2-methylbenzene-1-sulfonyl)-8-oxa-2-azaspiro[4.5]decane
Compound characteristics
| Compound ID: | SC66-0414 |
| Compound Name: | 4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2-(5-fluoro-2-methylbenzene-1-sulfonyl)-8-oxa-2-azaspiro[4.5]decane |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C20 H25 F N4 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CC(c2nncn2C2CC2)C2(CCOCC2)C1)(=O)=O)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1703 |
| logD: | 2.1703 |
| logSw: | -2.565 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.719 |
| InChI Key: | BMUSOOAGUILQHS-KRWDZBQOSA-N |