2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]ethyl 4-tert-butylbenzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]ethyl 4-tert-butylbenzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]ethyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | 8009-1636 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]ethyl 4-tert-butylbenzoate |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(=O)OCCN(C)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5427 |
| logD: | 4.5427 |
| logSw: | -4.2682 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.659 |
| InChI Key: | FCBQSFSLBGNUIH-UHFFFAOYSA-N |