2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 3,4-dimethoxybenzoate
2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | 5058-0035 |
| Compound Name: | 2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | COc1ccc(cc1OC)C(=O)OCCN1CCN(CC1)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0501 |
| logD: | 2.0482 |
| logSw: | -2.673 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.958 |
| InChI Key: | MGFLDCTXTVPBAH-UHFFFAOYSA-N |