(4-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}phenyl){3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl}methanone
Chemical Structure Depiction of
(4-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}phenyl){3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl}methanone
(4-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}phenyl){3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl}methanone
Compound characteristics
| Compound ID: | V001-6406 |
| Compound Name: | (4-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}phenyl){3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl}methanone |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C31 H32 N2 O3 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nc3ccccc3o2)cc1)=O)Oc1ccccc1C(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2929 |
| logD: | 5.2929 |
| logSw: | -5.3545 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.499 |
| InChI Key: | XBYIYNZRZLTPMW-UHFFFAOYSA-N |