N-[6-(3-{[(2-fluorophenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
Chemical Structure Depiction of
N-[6-(3-{[(2-fluorophenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
N-[6-(3-{[(2-fluorophenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | F222-0808 |
| Compound Name: | N-[6-(3-{[(2-fluorophenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H22 F N3 O2 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(NCc3ccccc3F)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3746 |
| logD: | 4.3746 |
| logSw: | -4.2806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.349 |
| InChI Key: | KBRXBVJOIKGOKF-UHFFFAOYSA-N |