2-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one
Chemical Structure Depiction of
2-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one
2-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one
Compound characteristics
| Compound ID: | J103-0249 |
| Compound Name: | 2-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C22 H23 F N4 O3 |
| Smiles: | C1CCC2C(C1)=CC(N(CC(N1CCC(CC1)c1c3ccc(cc3on1)F)=O)N=2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.95 |
| logD: | 2.95 |
| logSw: | -3.2093 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.553 |
| InChI Key: | XMQSYDBLHAULEH-UHFFFAOYSA-N |