3-{[(4-ethylphenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-propylbenzamide
Chemical Structure Depiction of
3-{[(4-ethylphenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-propylbenzamide
3-{[(4-ethylphenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-propylbenzamide
Compound characteristics
| Compound ID: | K784-4091 |
| Compound Name: | 3-{[(4-ethylphenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-propylbenzamide |
| Molecular Weight: | 529.7 |
| Molecular Formula: | C30 H35 N5 O2 S |
| Smiles: | CCCNC(c1ccc(c(c1)NC(Nc1ccc(CC)cc1)=S)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8869 |
| logD: | 5.8868 |
| logSw: | -5.4788 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.74 |
| InChI Key: | SABNNIVVOGMOFB-UHFFFAOYSA-N |