(1S)-3-[(2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(1S)-3-[(2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(1S)-3-[(2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-6305 |
| Compound Name: | (1S)-3-[(2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C28 H27 N3 O3 |
| Smiles: | C(c1ccccc1)[C@@H](C(N1C[C@@H]2C[C@H](C1)CN1C2=CC=CC1=O)=O)N1Cc2ccccc2C1=O |
| Stereo: | ABSOLUTE |
| logP: | 3.821 |
| logD: | 3.821 |
| logSw: | -4.2156 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.323 |
| InChI Key: | LMTBLHZUJXDZBY-XTJBDQBJSA-N |