4-(5-nitro-1H-benzimidazol-2-yl)butan-2-yl 4-nitrobenzoate
Chemical Structure Depiction of
4-(5-nitro-1H-benzimidazol-2-yl)butan-2-yl 4-nitrobenzoate
4-(5-nitro-1H-benzimidazol-2-yl)butan-2-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 1127-1200 |
| Compound Name: | 4-(5-nitro-1H-benzimidazol-2-yl)butan-2-yl 4-nitrobenzoate |
| Molecular Weight: | 384.35 |
| Molecular Formula: | C18 H16 N4 O6 |
| Smiles: | CC(CCc1nc2cc(ccc2[nH]1)[N+]([O-])=O)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2642 |
| logD: | 4.2503 |
| logSw: | -4.3375 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.327 |
| InChI Key: | BZILKXAEWKETKK-NSHDSACASA-N |