9-nitro-3-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
9-nitro-3-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
9-nitro-3-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-8027 |
| Compound Name: | 9-nitro-3-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 479.49 |
| Molecular Formula: | C25 H25 N3 O7 |
| Smiles: | CC1=C(C)c2ccc(c(C)c2OC1=O)OCC(N1CC2C[C@@H](C1)CN1C2=CC=C(C1=O)[N+]([O-])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1504 |
| logD: | 3.1504 |
| logSw: | -3.4092 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.081 |
| InChI Key: | JOWCVFSAPNILJE-TZHYSIJRSA-N |