3-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-4-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-4-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-4-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-5849 |
| Compound Name: | 3-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-4-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C25 H26 N2 O4 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1c2ccc(c1CN1C[C@@H]2C[C@H](C1)CN1C2=CC=CC1=O)O |
| Stereo: | ABSOLUTE |
| logP: | 3.9354 |
| logD: | 3.8361 |
| logSw: | -3.6507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.744 |
| InChI Key: | WOQOFFHMNNRJSM-HOTGVXAUSA-N |