3-(azepane-1-sulfonyl)-6-bromo-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-6-bromo-2H-1-benzopyran-2-one
3-(azepane-1-sulfonyl)-6-bromo-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | F312-0070 |
| Compound Name: | 3-(azepane-1-sulfonyl)-6-bromo-2H-1-benzopyran-2-one |
| Molecular Weight: | 386.26 |
| Molecular Formula: | C15 H16 Br N O4 S |
| Smiles: | C1CCCN(CC1)S(C1=Cc2cc(ccc2OC1=O)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2552 |
| logD: | 3.2552 |
| logSw: | -3.5377 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.202 |
| InChI Key: | RMLZFVNIWZETLZ-UHFFFAOYSA-N |