N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Chemical Structure Depiction of
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | 8018-0548 |
| Compound Name: | N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 510.64 |
| Molecular Formula: | C24 H26 N6 O3 S2 |
| Smiles: | Cc1cc(C)nc(NS(c2ccc(cc2)NC(N2C[C@@H]3C[C@@H](C2)CN2C3=CC=CC2=O)=S)(=O)=O)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9125 |
| logD: | 2.4303 |
| logSw: | -3.4594 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.803 |
| InChI Key: | CVCYYFHJWGQOQG-MSOLQXFVSA-N |