methyl 3-[(1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate
methyl 3-[(1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | 2616-2068 |
| Compound Name: | methyl 3-[(1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 357.34 |
| Molecular Formula: | C16 H11 N3 O5 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0064 |
| logD: | 3.9509 |
| logSw: | -4.306 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.646 |
| InChI Key: | IZNJLXKNFOSCPI-UHFFFAOYSA-N |