[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone
Compound characteristics
| Compound ID: | Y508-4297 |
| Compound Name: | [3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone |
| Molecular Weight: | 413.85 |
| Molecular Formula: | C18 H22 Cl F2 N5 O2 |
| Smiles: | CC1CC(C(F)F)(N(C(C23CC4CC(C2)CC(C4)(C3)n2cnc(n2)[Cl])=O)N=1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7341 |
| logD: | 2.7341 |
| logSw: | -2.9854 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.328 |
| InChI Key: | NMNRLMIMXWVVET-UHFFFAOYSA-N |