N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-4-methoxy-3-nitrobenzamide
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3156-0183 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 439.88 |
| Molecular Formula: | C21 H14 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(c(c1)c1nc2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.293 |
| logD: | 5.284 |
| logSw: | -5.8265 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.49 |
| InChI Key: | JTDSGEBKZYLAOB-UHFFFAOYSA-N |