methyl 3-nitro-5-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoate
methyl 3-nitro-5-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | Y032-0093 |
| Compound Name: | methyl 3-nitro-5-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoate |
| Molecular Weight: | 352.28 |
| Molecular Formula: | C12 H8 N4 O7 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ncc([N+]([O-])=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0489 |
| logD: | -0.758 |
| logSw: | -3.5249 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.186 |
| InChI Key: | AEINKMQGMPJAIG-UHFFFAOYSA-N |