N-[6-(3-{[(3-bromophenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
Chemical Structure Depiction of
N-[6-(3-{[(3-bromophenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
N-[6-(3-{[(3-bromophenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
Compound characteristics
| Compound ID: | F222-1091 |
| Compound Name: | N-[6-(3-{[(3-bromophenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide |
| Molecular Weight: | 460.39 |
| Molecular Formula: | C21 H22 Br N3 O2 S |
| Smiles: | CC(C)C(Nc1nc2ccc(CCC(NCc3cccc(c3)[Br])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9165 |
| logD: | 4.9165 |
| logSw: | -4.6147 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.563 |
| InChI Key: | AOJNANRZUXESOE-UHFFFAOYSA-N |