N-{3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl}-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-{3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl}-3-methyl-4-nitrobenzamide
N-{3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl}-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | K606-0062 |
| Compound Name: | N-{3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl}-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(NCCCNC1c2ccccc2S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5653 |
| logD: | 1.5653 |
| logSw: | -2.6875 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.615 |
| InChI Key: | AHTNHILGZALVLP-UHFFFAOYSA-N |