N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | Y043-5020 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C22 H25 N3 O3 |
| Smiles: | CC(C)C[C@@H](c1nc2ccccc2[nH]1)NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3757 |
| logD: | 3.3753 |
| logSw: | -3.7308 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.727 |
| InChI Key: | DXRIBGSQHFOUDF-SFHVURJKSA-N |