2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
Compound characteristics
| Compound ID: | J031-1518 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CC(C)C(c1ccc2c(c1)OCCCO2)NC(CSc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.222 |
| logD: | 3.2173 |
| logSw: | -3.4826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.958 |
| InChI Key: | DDGGXTSDSRHSCO-NRFANRHFSA-N |