3-{[(Z)-[(3-chloro-4-methylphenyl)imino]{[(2-chlorophenyl)methyl]sulfanyl}methyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
Chemical Structure Depiction of
3-{[(Z)-[(3-chloro-4-methylphenyl)imino]{[(2-chlorophenyl)methyl]sulfanyl}methyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
3-{[(Z)-[(3-chloro-4-methylphenyl)imino]{[(2-chlorophenyl)methyl]sulfanyl}methyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
Compound characteristics
| Compound ID: | K781-5307 |
| Compound Name: | 3-{[(Z)-[(3-chloro-4-methylphenyl)imino]{[(2-chlorophenyl)methyl]sulfanyl}methyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid |
| Molecular Weight: | 633.6 |
| Molecular Formula: | C33 H30 Cl2 N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])/N=C(/Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(O)=O)SCc1ccccc1[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.795 |
| logD: | 6.9007 |
| logSw: | -5.9161 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.816 |
| InChI Key: | ZQZGONPZEOKNEZ-UHFFFAOYSA-N |