3-[2-(2-chloro-6-fluorophenyl)acetamido]-N-(2-methoxyethyl)-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-methoxyethyl)-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-methoxyethyl)-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: | K623-0507 |
| Compound Name: | 3-[2-(2-chloro-6-fluorophenyl)acetamido]-N-(2-methoxyethyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 553.03 |
| Molecular Formula: | C29 H30 Cl F N4 O4 |
| Smiles: | COCCNC(c1ccc(c(c1)NC(Cc1c(cccc1[Cl])F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8994 |
| logD: | 3.8727 |
| logSw: | -4.4031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.138 |
| InChI Key: | CYTRDDVUZMKMMB-UHFFFAOYSA-N |