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]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
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]-2-methyl-3-nitrobenzamide
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]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K617-0188 |
| Compound Name: | 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]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 532.98 |
| Molecular Formula: | C28 H25 Cl N4 O5 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(NC(=C/c1cccc(c1)[Cl])\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6495 |
| logD: | 0.2443 |
| logSw: | -4.8405 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.591 |
| InChI Key: | ZETCEHIVNKSGGP-UHFFFAOYSA-N |