N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-nitrobenzamide
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | 8008-6329 |
| Compound Name: | N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-nitrobenzamide |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C22 H16 N4 O4 S2 |
| Smiles: | C(C(Nc1ccccc1)=O)Sc1nc2ccc(cc2s1)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6366 |
| logD: | 4.4934 |
| logSw: | -4.7616 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.369 |
| InChI Key: | LUMTZLIIWTXDFR-UHFFFAOYSA-N |