2-[(2-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methyl-4-nitrobenzoate
Chemical Structure Depiction of
2-[(2-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methyl-4-nitrobenzoate
2-[(2-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methyl-4-nitrobenzoate
Compound characteristics
| Compound ID: | K606-0158 |
| Compound Name: | 2-[(2-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3-methyl-4-nitrobenzoate |
| Molecular Weight: | 499.93 |
| Molecular Formula: | C23 H18 Cl N3 O6 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(=O)OCCN(C1c2ccccc2S(N=1)(=O)=O)c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.107 |
| logD: | 5.107 |
| logSw: | -5.301 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.639 |
| InChI Key: | ABMGQSCZVIGJOH-UHFFFAOYSA-N |