2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-1515 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C19 H19 N3 O3 S |
| Smiles: | C1COc2ccc(CNC(CSc3nc4ccccc4[nH]3)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 2.0565 |
| logD: | 2.0518 |
| logSw: | -2.6724 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.606 |
| InChI Key: | QELVSSYUEBLOIG-UHFFFAOYSA-N |