2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-(morpholine-4-sulfonyl)benzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-(morpholine-4-sulfonyl)benzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-(morpholine-4-sulfonyl)benzoate
Compound characteristics
| Compound ID: | 6134-2989 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-(morpholine-4-sulfonyl)benzoate |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C20 H21 N3 O7 S2 |
| Smiles: | C(COC(c1ccc(cc1)S(N1CCOCC1)(=O)=O)=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6301 |
| logD: | 1.6301 |
| logSw: | -2.6844 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.675 |
| InChI Key: | IIKHRLHJIDKDSX-UHFFFAOYSA-N |