methyl 2-{[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino}benzoate
methyl 2-{[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C797-0171 |
| Compound Name: | methyl 2-{[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 518.43 |
| Molecular Formula: | C23 H24 Br N3 O4 S |
| Smiles: | CCOc1cc2c(cc1[Br])nc(N1CCC(CC1)C(Nc1ccccc1C(=O)OC)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.1404 |
| logD: | 5.0706 |
| logSw: | -4.8949 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.004 |
| InChI Key: | FVIGXMPHSZXFJS-UHFFFAOYSA-N |