N-[(1Z)-1-(3-bromophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-[(1Z)-1-(3-bromophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]cyclohexanecarboxamide
N-[(1Z)-1-(3-bromophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | K617-0157 |
| Compound Name: | N-[(1Z)-1-(3-bromophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]cyclohexanecarboxamide |
| Molecular Weight: | 524.46 |
| Molecular Formula: | C27 H30 Br N3 O3 |
| Smiles: | C1CCC(CC1)C(NC(=C/c1cccc(c1)[Br])\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9461 |
| logD: | 3.0767 |
| logSw: | -4.7725 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.702 |
| InChI Key: | NNKPMKGVUMAUKO-UHFFFAOYSA-N |