3-{(Z)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-{(Z)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-{(Z)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
Compound ID: | 2113-0091 |
Compound Name: | 3-{(Z)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
Molecular Weight: | 395.84 |
Molecular Formula: | C21 H18 Cl N3 O3 |
Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)/C=C1/C(=O)OC(c2ccc(cc2)[Cl])=N1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.7512 |
logD: | 2.7512 |
logSw: | -3.6781 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.689 |
InChI Key: | MPSSFGRDCKIQHY-UHFFFAOYSA-N |