N-{4-[acetyl(methyl)amino]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-{4-[acetyl(methyl)amino]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-{4-[acetyl(methyl)amino]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 6049-2684 |
| Compound Name: | N-{4-[acetyl(methyl)amino]phenyl}-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 427.93 |
| Molecular Formula: | C22 H26 Cl N5 O2 |
| Smiles: | CC(N(C)c1ccc(cc1)NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0383 |
| logD: | 3.0382 |
| logSw: | -3.6245 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.803 |
| InChI Key: | JIVLZUJFCFRLJD-UHFFFAOYSA-N |