(4-{[(5-nitropyridin-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-{[(5-nitropyridin-2-yl)sulfanyl]methyl}phenyl){3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl}methanone
(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}phenyl){3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl}methanone
Compound characteristics
| Compound ID: | V008-4536 |
| Compound Name: | (4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}phenyl){3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl}methanone |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Salt: | not_available |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2ccc(cn2)[N+]([O-])=O)cc1)=O)Oc1ccccc1C(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2864 |
| logD: | 4.2864 |
| logSw: | -4.2388 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.715 |
| InChI Key: | UOTQMQMPHISPSS-UHFFFAOYSA-N |