3-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-8028 |
| Compound Name: | 3-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 451.43 |
| Molecular Formula: | C23 H21 N3 O7 |
| Smiles: | CC1=C(CC(N2C[C@@H]3C[C@H](C2)CN2C3=CC=C(C2=O)[N+]([O-])=O)=O)C(=O)Oc2cc(ccc12)O |
| Stereo: | ABSOLUTE |
| logP: | 2.4043 |
| logD: | 2.375 |
| logSw: | -2.7408 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.428 |
| InChI Key: | QORAEBMFPGAKDD-KBPBESRZSA-N |