N-[(2-chlorophenyl)methyl]-3-[(4-fluorobenzene-1-sulfonyl)amino]-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-chlorophenyl)methyl]-3-[(4-fluorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-[(2-chlorophenyl)methyl]-3-[(4-fluorobenzene-1-sulfonyl)amino]-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: | K784-5796 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-3-[(4-fluorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 607.1 |
| Molecular Formula: | C31 H28 Cl F N4 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1ccc(cc1)F)(=O)=O)C(NCc1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4553 |
| logD: | 2.9451 |
| logSw: | -5.9709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.454 |
| InChI Key: | FFJHYXNTTKLANF-UHFFFAOYSA-N |