N-[5-(1H-benzimidazol-2-yl)pentyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[5-(1H-benzimidazol-2-yl)pentyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[5-(1H-benzimidazol-2-yl)pentyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | Y043-4421 |
| Compound Name: | N-[5-(1H-benzimidazol-2-yl)pentyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C22 H25 N3 O3 |
| Smiles: | C(CCc1nc2ccccc2[nH]1)CCNC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0327 |
| logD: | 2.9879 |
| logSw: | -3.2643 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.929 |
| InChI Key: | GMPNZPVBMHFEME-UHFFFAOYSA-N |