2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 4-methoxybenzoate
Chemical Structure Depiction of
2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 4-methoxybenzoate
2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 4281-1769 |
| Compound Name: | 2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 4-methoxybenzoate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | COc1ccc(cc1)C(=O)OCCN1CCN(CC1)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5285 |
| logD: | 2.5265 |
| logSw: | -2.699 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.241 |
| InChI Key: | RMSMKJOSVRHTQV-UHFFFAOYSA-N |