3-(4-benzylpiperidine-1-sulfonyl)-6-bromo-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-benzylpiperidine-1-sulfonyl)-6-bromo-2H-1-benzopyran-2-one
3-(4-benzylpiperidine-1-sulfonyl)-6-bromo-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | F312-0183 |
| Compound Name: | 3-(4-benzylpiperidine-1-sulfonyl)-6-bromo-2H-1-benzopyran-2-one |
| Molecular Weight: | 462.36 |
| Molecular Formula: | C21 H20 Br N O4 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)S(C1=Cc2cc(ccc2OC1=O)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8738 |
| logD: | 4.8738 |
| logSw: | -5.0586 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.599 |
| InChI Key: | KIOSGLYSHLJCGF-UHFFFAOYSA-N |