ethyl 4-({8-[4-({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate
Chemical Structure Depiction of
ethyl 4-({8-[4-({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate
ethyl 4-({8-[4-({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | V008-4563 |
| Compound Name: | ethyl 4-({8-[4-({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate |
| Molecular Weight: | 555.74 |
| Molecular Formula: | C27 H29 N3 O4 S3 |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nnc(SC)s2)cc1)=O)Oc1ccc(cc1)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1974 |
| logD: | 4.1974 |
| logSw: | -4.0731 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.729 |
| InChI Key: | MTDCRGKVSYMSLU-UHFFFAOYSA-N |