2-{[3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-{2-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}acetamide
Chemical Structure Depiction of
2-{[3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-{2-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}acetamide
2-{[3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-{2-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}acetamide
Compound characteristics
| Compound ID: | Y043-6264 |
| Compound Name: | 2-{[3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-{2-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}acetamide |
| Molecular Weight: | 571.63 |
| Molecular Formula: | C32 H33 N3 O7 |
| Smiles: | COc1ccc(cc1OC)C1=Cc2ccc(cc2OC1=O)OCC(NCCN1C[C@@H]2C[C@H](C1)CN1C2=CC=CC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.62 |
| logD: | 2.1714 |
| logSw: | -3.0734 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.371 |
| InChI Key: | JNPCJXJYOLIJMY-REWPJTCUSA-N |