3-[(4-fluoro-3-methylbenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(2-phenylethyl)benzamide
Chemical Structure Depiction of
3-[(4-fluoro-3-methylbenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(2-phenylethyl)benzamide
3-[(4-fluoro-3-methylbenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(2-phenylethyl)benzamide
Compound characteristics
| Compound ID: | K781-3554 |
| Compound Name: | 3-[(4-fluoro-3-methylbenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(2-phenylethyl)benzamide |
| Molecular Weight: | 600.71 |
| Molecular Formula: | C33 H33 F N4 O4 S |
| Smiles: | Cc1cc(ccc1F)S(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCCc1ccccc1)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9769 |
| logD: | 2.4667 |
| logSw: | -4.6239 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.296 |
| InChI Key: | TVDYNKPGYAAUIS-UHFFFAOYSA-N |