(4-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}phenyl)[3-(2-chloro-5-methylphenoxy)-8-azabicyclo[3.2.1]octan-8-yl]methanone
Chemical Structure Depiction of
(4-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}phenyl)[3-(2-chloro-5-methylphenoxy)-8-azabicyclo[3.2.1]octan-8-yl]methanone
(4-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}phenyl)[3-(2-chloro-5-methylphenoxy)-8-azabicyclo[3.2.1]octan-8-yl]methanone
Compound characteristics
| Compound ID: | V008-4559 |
| Compound Name: | (4-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}phenyl)[3-(2-chloro-5-methylphenoxy)-8-azabicyclo[3.2.1]octan-8-yl]methanone |
| Molecular Weight: | 553.51 |
| Molecular Formula: | C29 H26 Cl2 N2 O3 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nc3cc(ccc3o2)[Cl])cc1)=O)Oc1cc(C)ccc1[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6287 |
| logD: | 5.6287 |
| logSw: | -5.9029 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.499 |
| InChI Key: | HLNQEONSMVRJTK-UHFFFAOYSA-N |