5-bromo-N-[(1Z)-1-(2-methoxyphenyl)-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]pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-[(1Z)-1-(2-methoxyphenyl)-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]pyridine-3-carboxamide
5-bromo-N-[(1Z)-1-(2-methoxyphenyl)-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]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K617-0079 |
| Compound Name: | 5-bromo-N-[(1Z)-1-(2-methoxyphenyl)-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]pyridine-3-carboxamide |
| Molecular Weight: | 549.42 |
| Molecular Formula: | C27 H25 Br N4 O4 |
| Smiles: | COc1ccccc1/C=C(/C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)NC(c1cc(cnc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9682 |
| logD: | 1.5465 |
| logSw: | -4.091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.748 |
| InChI Key: | TXCDQYBGYHYDRP-UHFFFAOYSA-N |