3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-N-[(oxolan-2-yl)methyl]-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-[(oxolan-2-yl)methyl]-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-[(oxolan-2-yl)methyl]-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: | K784-9132 |
| Compound Name: | 3-{[(3,5-dimethylphenyl)carbamothioyl]amino}-N-[(oxolan-2-yl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 571.74 |
| Molecular Formula: | C32 H37 N5 O3 S |
| Smiles: | Cc1cc(C)cc(c1)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCC1CCCO1)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9741 |
| logD: | 4.974 |
| logSw: | -4.6781 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.281 |
| InChI Key: | BQEXAZTTWZJYSJ-UHFFFAOYSA-N |