2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 4-methoxybenzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 4-methoxybenzoate--hydrogen chloride (1/1)
2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 4-methoxybenzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8009-2887 |
| Compound Name: | 2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 4-methoxybenzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 530.04 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Salt: | HCl |
| Smiles: | CCN(CC)Cc1cc(ccc1OC(c1ccc(cc1)OC)=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8627 |
| logD: | 2.3004 |
| logSw: | -3.9479 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.285 |
| InChI Key: | QAVXVZMEFFAVMG-UHFFFAOYSA-N |