3-(2-bromobenzamido)-N-[2-(cyclohex-1-en-1-yl)ethyl]-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-bromobenzamido)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-(2-bromobenzamido)-N-[2-(cyclohex-1-en-1-yl)ethyl]-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: | K781-1595 |
| Compound Name: | 3-(2-bromobenzamido)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 615.57 |
| Molecular Formula: | C33 H35 Br N4 O3 |
| Smiles: | C1CCC(CCNC(c2ccc(c(c2)NC(c2ccccc2[Br])=O)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)=CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5217 |
| logD: | 4.8025 |
| logSw: | -5.7547 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.929 |
| InChI Key: | LKJAQRXIDDWUDR-UHFFFAOYSA-N |