N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Chemical Structure Depiction of
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Compound characteristics
| Compound ID: | 8495-0604 |
| Compound Name: | N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C24 H20 N4 O3 S |
| Smiles: | C1CCN(C1)c1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4604 |
| logD: | 5.459 |
| logSw: | -5.7388 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.679 |
| InChI Key: | NPYQRUBKWBUAKI-UHFFFAOYSA-N |