2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate
Compound characteristics
| Compound ID: | 5941-1339 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate |
| Molecular Weight: | 567.68 |
| Molecular Formula: | C28 H29 N3 O6 S2 |
| Smiles: | Cc1ccc(cc1)N(CCOC(c1ccc(cc1)S(N1CCCCC1)(=O)=O)=O)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9235 |
| logD: | 4.9235 |
| logSw: | -4.5139 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.57 |
| InChI Key: | NZSMBGQVQITNBE-UHFFFAOYSA-N |