3-{[(2,4-dichlorophenyl)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-{[(2,4-dichlorophenyl)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-{[(2,4-dichlorophenyl)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: | K784-6483 |
| Compound Name: | 3-{[(2,4-dichlorophenyl)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: | 570.54 |
| Molecular Formula: | C28 H29 Cl2 N5 O2 S |
| Smiles: | CCCNC(c1ccc(c(c1)NC(Nc1ccc(cc1[Cl])[Cl])=S)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1393 |
| logD: | 6.1387 |
| logSw: | -6.2064 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.042 |
| InChI Key: | NQGURVBDTFIZCM-UHFFFAOYSA-N |