methyl 4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
methyl 4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | 0478-0682 |
| Compound Name: | methyl 4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate |
| Molecular Weight: | 357.34 |
| Molecular Formula: | C16 H11 N3 O5 S |
| Smiles: | COC(c1ccc(cc1)C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8737 |
| logD: | 3.8704 |
| logSw: | -4.1512 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.646 |
| InChI Key: | ISYGTRLLBVUDMA-UHFFFAOYSA-N |