3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 3,4,5-trimethoxybenzoate
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 8010-0494 |
| Compound Name: | 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C20 H22 N2 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)OCCCNC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0765 |
| logD: | 2.0765 |
| logSw: | -2.9616 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.034 |
| InChI Key: | VTQXERVMWASECI-UHFFFAOYSA-N |