3-({1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}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-({1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}acetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-({1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}acetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | D750-2304 |
| Compound Name: | 3-({1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}acetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C28 H33 N3 O3 |
| Smiles: | C1CCC(CC1)(CC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)CN1Cc2ccccc2C1=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3627 |
| logD: | 3.3627 |
| logSw: | -3.5727 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.897 |
| InChI Key: | DBLWOLYCCXYFML-IRLDBZIGSA-N |