2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 2-bromobenzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 2-bromobenzoate--hydrogen chloride (1/1)
2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 2-bromobenzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3904-0045 |
| Compound Name: | 2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 2-bromobenzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 578.91 |
| Molecular Formula: | C25 H24 Br N3 O4 S |
| Salt: | HCl |
| Smiles: | CCN(CC)Cc1cc(ccc1OC(c1ccccc1[Br])=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.391 |
| logD: | 2.8287 |
| logSw: | -4.2817 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.742 |
| InChI Key: | YPQKBTWNYWWNEA-UHFFFAOYSA-N |