N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-4-(dimethylsulfamoyl)benzamide
Chemical Structure Depiction of
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-4-(dimethylsulfamoyl)benzamide
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-4-(dimethylsulfamoyl)benzamide
Compound characteristics
| Compound ID: | K415-0057 |
| Compound Name: | N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-4-(dimethylsulfamoyl)benzamide |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C27 H31 N5 O3 S |
| Smiles: | CN(C)S(c1ccc(cc1)C(Nc1ccc(cc1)n1c(cnn1)C12CC3CC(CC(C3)C2)C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1335 |
| logD: | 5.1332 |
| logSw: | -4.8837 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.011 |
| InChI Key: | KMWMXQOKBIARSR-UHFFFAOYSA-N |