N-{[(1'-acetyl-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidin]-7-yl)oxy]acetyl}-L-valine
Chemical Structure Depiction of
N-{[(1'-acetyl-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidin]-7-yl)oxy]acetyl}-L-valine
N-{[(1'-acetyl-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidin]-7-yl)oxy]acetyl}-L-valine
Compound characteristics
| Compound ID: | Y044-0841 |
| Compound Name: | N-{[(1'-acetyl-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidin]-7-yl)oxy]acetyl}-L-valine |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C22 H28 N2 O7 |
| Smiles: | CC(C)[C@@H](C(O)=O)NC(COc1ccc2C(CC3(CCN(CC3)C(C)=O)Oc2c1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.1998 |
| logD: | -3.7869 |
| logSw: | -2.2663 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.148 |
| InChI Key: | IXVVXZNKMSZAKG-FQEVSTJZSA-N |