2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-1519 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | COc1cc2c(cc1CNC(CSc1nc3ccccc3[nH]1)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.0891 |
| logD: | 2.0844 |
| logSw: | -2.7164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.236 |
| InChI Key: | BUEBGWKNQJVQIC-UHFFFAOYSA-N |