3-{[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)oxan-4-yl]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-{[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)oxan-4-yl]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-{[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)oxan-4-yl]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | D750-0302 |
| Compound Name: | 3-{[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)oxan-4-yl]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C26 H29 N3 O4 |
| Smiles: | C1[C@H]2CN(C[C@@H]1CN1C2=CC=CC1=O)C(CC1(CCOCC1)N1Cc2ccccc2C1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4222 |
| logD: | 2.4222 |
| logSw: | -2.8308 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.948 |
| InChI Key: | UHYPSGYAFSHFLD-ICSRJNTNSA-N |