3-{[8-(4-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Chemical Structure Depiction of
3-{[8-(4-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
3-{[8-(4-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Compound characteristics
| Compound ID: | V008-4548 |
| Compound Name: | 3-{[8-(4-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile |
| Molecular Weight: | 530.04 |
| Molecular Formula: | C29 H24 Cl N3 O3 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nc3cc(ccc3o2)[Cl])cc1)=O)Oc1cccc(C#N)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1553 |
| logD: | 4.1553 |
| logSw: | -4.5331 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.468 |
| InChI Key: | KQYJKACFPCYLBY-UHFFFAOYSA-N |