methyl 3-nitro-4-[(4-phenyl-1H-imidazol-2-yl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-4-[(4-phenyl-1H-imidazol-2-yl)sulfanyl]benzoate
methyl 3-nitro-4-[(4-phenyl-1H-imidazol-2-yl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | 8010-5147 |
| Compound Name: | methyl 3-nitro-4-[(4-phenyl-1H-imidazol-2-yl)sulfanyl]benzoate |
| Molecular Weight: | 355.37 |
| Molecular Formula: | C17 H13 N3 O4 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)Sc1nc(c[nH]1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7484 |
| logD: | 4.7442 |
| logSw: | -4.6652 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.783 |
| InChI Key: | JNFVDTWJQMRGHP-UHFFFAOYSA-N |