9-nitro-3-[3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-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-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
9-nitro-3-[3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-8015 |
| Compound Name: | 9-nitro-3-[3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 593.64 |
| Molecular Formula: | C34 H31 N3 O7 |
| Smiles: | CC1=C(CCC(N2CC3C[C@@H](C2)CN2C3=CC=C(C2=O)[N+]([O-])=O)=O)C(=O)Oc2c1cc1c(c3ccccc3)c(C)oc1c2C |
| Stereo: | ABSOLUTE |
| logP: | 5.8091 |
| logD: | 5.8091 |
| logSw: | -5.7547 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.404 |
| InChI Key: | DSCBDFUCIAJBCG-FKHAVUOCSA-N |