3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}adamantane-1-carboxamide
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-7500 |
| Compound Name: | 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}adamantane-1-carboxamide |
| Molecular Weight: | 514 |
| Molecular Formula: | C23 H24 Cl N7 O3 S |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])C(Nc1ccc(cc1)S(Nc1ncccn1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0091 |
| logD: | 2.2539 |
| logSw: | -3.7092 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.914 |
| InChI Key: | OKKRQDMMOSHXRI-UHFFFAOYSA-N |