N-butyl-N-methyl-3-{[(4-methylphenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-butyl-N-methyl-3-{[(4-methylphenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-butyl-N-methyl-3-{[(4-methylphenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K786-0266 |
| Compound Name: | N-butyl-N-methyl-3-{[(4-methylphenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 543.73 |
| Molecular Formula: | C31 H37 N5 O2 S |
| Smiles: | CCCCN(C)C(c1ccc(c(c1)NC(Nc1ccc(C)cc1)=S)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6276 |
| logD: | 5.6275 |
| logSw: | -5.2339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.614 |
| InChI Key: | LHWZWHRPSDFOIP-UHFFFAOYSA-N |