ethyl 4-[(3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carbonyl)amino]benzoate
ethyl 4-[(3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | Y044-5205 |
| Compound Name: | ethyl 4-[(3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carbonyl)amino]benzoate |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C25 H33 N3 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCCC2=C[C@@H]3C[C@H](CN4CCCCC34)C12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6915 |
| logD: | 2.8174 |
| logSw: | -3.7682 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.507 |
| InChI Key: | ZTCUOFRRIABOEV-YNGQWAMVSA-N |