3-({8-[4-({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
Chemical Structure Depiction of
3-({8-[4-({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
3-({8-[4-({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
Compound characteristics
| Compound ID: | V006-5919 |
| Compound Name: | 3-({8-[4-({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile |
| Molecular Weight: | 508.68 |
| Molecular Formula: | C25 H24 N4 O2 S3 |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nnc(SC)s2)cc1)=O)Oc1cccc(C#N)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1846 |
| logD: | 3.1846 |
| logSw: | -3.287 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.031 |
| InChI Key: | MDBCELMKYHGHBA-UHFFFAOYSA-N |