N-(butan-2-yl)-3-(4-fluorobenzamido)-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-(butan-2-yl)-3-(4-fluorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-(butan-2-yl)-3-(4-fluorobenzamido)-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: | K623-0270 |
| Compound Name: | N-(butan-2-yl)-3-(4-fluorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C29 H31 F N4 O3 |
| Smiles: | CCC(C)NC(c1ccc(c(c1)NC(c1ccc(cc1)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2172 |
| logD: | 3.4981 |
| logSw: | -4.2284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.608 |
| InChI Key: | JCZPPBWTTMSPLH-UHFFFAOYSA-N |