4-tert-butyl-N-[(1Z)-1-(3-chlorophenyl)-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]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[(1Z)-1-(3-chlorophenyl)-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]benzamide
4-tert-butyl-N-[(1Z)-1-(3-chlorophenyl)-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]benzamide
Compound characteristics
| Compound ID: | K617-0093 |
| Compound Name: | 4-tert-butyl-N-[(1Z)-1-(3-chlorophenyl)-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]benzamide |
| Molecular Weight: | 530.07 |
| Molecular Formula: | C31 H32 Cl N3 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC(=C/c1cccc(c1)[Cl])\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2032 |
| logD: | 3.3735 |
| logSw: | -6.2551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.51 |
| InChI Key: | QTYAVAFZTRHGSB-UHFFFAOYSA-N |