3-[(3-benzyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-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-benzyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[(3-benzyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-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: | Y043-5846 |
| Compound Name: | 3-[(3-benzyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C29 H28 N2 O4 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2CN1C[C@@H]2C[C@H](C1)CN1C2=CC=CC1=O)O |
| Stereo: | ABSOLUTE |
| logP: | 4.7542 |
| logD: | 4.6549 |
| logSw: | -4.3895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.552 |
| InChI Key: | DHCSEHRBYOAURX-SFTDATJTSA-N |