3-[(4-chlorophenyl)carbamamido]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)carbamamido]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[(4-chlorophenyl)carbamamido]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K784-8686 |
| Compound Name: | 3-[(4-chlorophenyl)carbamamido]-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 626.11 |
| Molecular Formula: | C34 H32 Cl N5 O5 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(Nc1ccc(cc1)[Cl])=O)C(NCC1COc2ccccc2O1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8198 |
| logD: | 5.819 |
| logSw: | -6.1063 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.787 |
| InChI Key: | ZPGKIAWKABAKKZ-UHFFFAOYSA-N |