7-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F184-0866 |
| Compound Name: | 7-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Smiles: | Cc1cc2c(cc1S(N1CCC(CC1)C(N1CCc3ccccc3C1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.258 |
| logD: | 2.2574 |
| logSw: | -2.9071 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.53 |
| InChI Key: | XWIKOQAQOWBTOI-UHFFFAOYSA-N |