2-chloro-N-[1,2,2-tricyano-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octan-5-yl]acetamide
Chemical Structure Depiction of
2-chloro-N-[1,2,2-tricyano-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octan-5-yl]acetamide
2-chloro-N-[1,2,2-tricyano-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octan-5-yl]acetamide
Compound characteristics
| Compound ID: | 8013-7002 |
| Compound Name: | 2-chloro-N-[1,2,2-tricyano-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octan-5-yl]acetamide |
| Molecular Weight: | 425.87 |
| Molecular Formula: | C21 H20 Cl N5 O3 |
| Smiles: | CC1C(c2ccc(cc2)OC)C(C#N)(C#N)C2(C#N)C(C)C1(NC(C[Cl])=O)NC2=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0374 |
| logD: | 2.0362 |
| logSw: | -2.6969 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.389 |
| InChI Key: | VVWCECFBBRZHIO-UHFFFAOYSA-N |