N-(butan-2-yl)-3-{[(3,5-dimethylphenyl)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-(butan-2-yl)-3-{[(3,5-dimethylphenyl)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-(butan-2-yl)-3-{[(3,5-dimethylphenyl)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: | K784-9076 |
| Compound Name: | N-(butan-2-yl)-3-{[(3,5-dimethylphenyl)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: | CCC(C)NC(c1ccc(c(c1)NC(Nc1cc(C)cc(C)c1)=S)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7033 |
| logD: | 5.7032 |
| logSw: | -5.358 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.34 |
| InChI Key: | KCUSVNOOHSQZRV-UHFFFAOYSA-N |