N-{3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl}-2-methylquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl}-2-methylquinoline-4-carboxamide
N-{3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl}-2-methylquinoline-4-carboxamide
Compound characteristics
| Compound ID: | 5539-0041 |
| Compound Name: | N-{3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl}-2-methylquinoline-4-carboxamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | Cc1cc(C(NCCCNC2c3ccccc3S(N=2)(=O)=O)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9719 |
| logD: | 1.9718 |
| logSw: | -2.8939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.672 |
| InChI Key: | LTEJABXZWBZNSC-UHFFFAOYSA-N |