N-[6-(3-oxo-3-{3-[(pyrrolidin-1-yl)methyl]anilino}propyl)-1,3-benzothiazol-2-yl]butanamide
Chemical Structure Depiction of
N-[6-(3-oxo-3-{3-[(pyrrolidin-1-yl)methyl]anilino}propyl)-1,3-benzothiazol-2-yl]butanamide
N-[6-(3-oxo-3-{3-[(pyrrolidin-1-yl)methyl]anilino}propyl)-1,3-benzothiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | F222-0848 |
| Compound Name: | N-[6-(3-oxo-3-{3-[(pyrrolidin-1-yl)methyl]anilino}propyl)-1,3-benzothiazol-2-yl]butanamide |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C25 H30 N4 O2 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(Nc3cccc(CN4CCCC4)c3)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3006 |
| logD: | 1.4524 |
| logSw: | -4.1757 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.125 |
| InChI Key: | WUWKDNYEOHMVJZ-UHFFFAOYSA-N |