2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]acetamide
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]acetamide
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]acetamide
Compound characteristics
| Compound ID: | J031-1517 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]acetamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CCC(c1ccc2c(c1)OCCCO2)NC(CSc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9968 |
| logD: | 2.9922 |
| logSw: | -3.2492 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.236 |
| InChI Key: | RZSDXNMUIYNGIM-HNNXBMFYSA-N |