2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]acetamide
Compound characteristics
| Compound ID: | C700-1226 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]acetamide |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C28 H36 N4 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(NCCCN1CCc3ccccc3C1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7415 |
| logD: | 1.5374 |
| logSw: | -3.3971 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.068 |
| InChI Key: | OHEWOXPNWCANRW-UHFFFAOYSA-N |