N-{(1S)-1-[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]ethyl}-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-{(1S)-1-[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]ethyl}-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-{(1S)-1-[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]ethyl}-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | Y042-7569 |
| Compound Name: | N-{(1S)-1-[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]ethyl}-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C22 H25 N3 O4 |
| Smiles: | C[C@@H](c1nc2ccccc2n1CCOC)NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5231 |
| logD: | 2.523 |
| logSw: | -2.9577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.49 |
| InChI Key: | JNMZYBFIXPIVBI-HNNXBMFYSA-N |