3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-N-(3-ethoxypropyl)-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
3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-N-(3-ethoxypropyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-N-(3-ethoxypropyl)-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: | K784-9082 |
| Compound Name: | 3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-N-(3-ethoxypropyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 573.76 |
| Molecular Formula: | C32 H39 N5 O3 S |
| Smiles: | CCOCCCNC(c1ccc(c(c1)NC(Nc1cc(C)cc(C)c1)=S)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4195 |
| logD: | 5.4195 |
| logSw: | -5.2958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.717 |
| InChI Key: | IIYZJSMUDMSJKM-UHFFFAOYSA-N |