N-[2-(adamantan-1-yl)ethyl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(adamantan-1-yl)ethyl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
N-[2-(adamantan-1-yl)ethyl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8012-9787 |
| Compound Name: | N-[2-(adamantan-1-yl)ethyl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | C1C2CC3CC1CC(CCNC(CSc1nc4cc(ccc4[nH]1)[N+]([O-])=O)=O)(C2)C3 |
| Stereo: | ACHIRAL |
| logP: | 4.0694 |
| logD: | 3.4163 |
| logSw: | -4.3662 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.708 |
| InChI Key: | PVOITDLITZQQCU-UHFFFAOYSA-N |