N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
Compound characteristics
| Compound ID: | Y042-6548 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C20 H21 N3 O3 |
| Smiles: | C[C@@H](c1nc2ccccc2[nH]1)NC(Cc1ccc2c(c1)OCCCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0061 |
| logD: | 2.005 |
| logSw: | -2.5289 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.047 |
| InChI Key: | UXUIJTNCHOPBIW-ZDUSSCGKSA-N |