methyl 3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
methyl 3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | Y032-0584 |
| Compound Name: | methyl 3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate |
| Molecular Weight: | 402.34 |
| Molecular Formula: | C16 H10 N4 O7 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8992 |
| logD: | 3.8192 |
| logSw: | -4.1443 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.028 |
| InChI Key: | JLBWRTMSQPRJQZ-UHFFFAOYSA-N |