3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-9585 |
| Compound Name: | 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide |
| Molecular Weight: | 452.89 |
| Molecular Formula: | C21 H23 Cl F2 N4 O3 |
| Smiles: | COc1cc(ccc1OC(F)F)NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0303 |
| logD: | 4.0288 |
| logSw: | -4.4607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.017 |
| InChI Key: | LXWRYYCNQVBDIN-UHFFFAOYSA-N |