ethyl 4-{[8-(4-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Chemical Structure Depiction of
ethyl 4-{[8-(4-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
ethyl 4-{[8-(4-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Compound characteristics
| Compound ID: | V008-3068 |
| Compound Name: | ethyl 4-{[8-(4-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate |
| Molecular Weight: | 588.75 |
| Molecular Formula: | C32 H32 N2 O5 S2 |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nc3cc(ccc3s2)OC)cc1)=O)Oc1ccc(cc1)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2551 |
| logD: | 5.2551 |
| logSw: | -5.1123 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.128 |
| InChI Key: | GCWZGBMNYCTTMG-UHFFFAOYSA-N |