2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-nitrophenyl)ethan-1-one
2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 3260-0345 |
| Compound Name: | 2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 433.3 |
| Molecular Formula: | C19 H20 N4 O3 |
| Salt: | HBr |
| Smiles: | CCCCN1C(=N)N(CC(c2ccc(cc2)[N+]([O-])=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.7971 |
| logD: | 3.2895 |
| logSw: | -3.927 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.461 |
| InChI Key: | PKAWZDKTBOFAKM-UHFFFAOYSA-N |