7-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)pyrrolidine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)pyrrolidine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)pyrrolidine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F632-0086 |
| Compound Name: | 7-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)pyrrolidine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | Cc1cc2c(cc1S(N1CCCC1C(N1CCc3ccccc3C1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8759 |
| logD: | 1.8753 |
| logSw: | -2.6873 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.367 |
| InChI Key: | KGXIBLHKUJWDPS-IBGZPJMESA-N |