N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-[(3-methoxyphenyl)carbamamido]-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
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-[(3-methoxyphenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-[(3-methoxyphenyl)carbamamido]-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: | K784-8011 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-[(3-methoxyphenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 621.69 |
| Molecular Formula: | C35 H35 N5 O6 |
| Smiles: | COc1cccc(c1)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCC1COc2ccccc2O1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2916 |
| logD: | 5.2912 |
| logSw: | -5.3119 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.331 |
| InChI Key: | NRSHYDRAGOVPLD-UHFFFAOYSA-N |