N-{2-[(adamantan-1-yl)oxy]ethyl}-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)oxy]ethyl}-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
N-{2-[(adamantan-1-yl)oxy]ethyl}-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8013-1674 |
| Compound Name: | N-{2-[(adamantan-1-yl)oxy]ethyl}-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)OCCNC(CSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8497 |
| logD: | 3.1965 |
| logSw: | -4.1572 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.935 |
| InChI Key: | QKJOCTKWWAVUHN-UHFFFAOYSA-N |