2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 3-bromobenzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 3-bromobenzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 3-bromobenzoate
Compound characteristics
| Compound ID: | 4418-0023 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 3-bromobenzoate |
| Molecular Weight: | 499.38 |
| Molecular Formula: | C23 H19 Br N2 O4 S |
| Smiles: | Cc1cccc(c1)N(CCOC(c1cccc(c1)[Br])=O)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6048 |
| logD: | 5.6048 |
| logSw: | -5.4812 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.859 |
| InChI Key: | CJHXNWDHQRHWQO-UHFFFAOYSA-N |