3-[2-(2-chloro-6-fluorophenyl)acetamido]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-[2-(2-chloro-6-fluorophenyl)acetamido]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[2-(2-chloro-6-fluorophenyl)acetamido]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | K623-0584 |
| Compound Name: | 3-[2-(2-chloro-6-fluorophenyl)acetamido]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 629.09 |
| Molecular Formula: | C34 H30 Cl F N4 O5 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(Cc1c(cccc1[Cl])F)=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7132 |
| logD: | 4.6074 |
| logSw: | -4.997 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.183 |
| InChI Key: | UNTRWZUUVUJZAS-UHFFFAOYSA-N |