3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{3-[3-(diethylamino)phenoxy]-5-nitrophenyl}adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{3-[3-(diethylamino)phenoxy]-5-nitrophenyl}adamantane-1-carboxamide
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{3-[3-(diethylamino)phenoxy]-5-nitrophenyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 8007-6466 |
| Compound Name: | 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-{3-[3-(diethylamino)phenoxy]-5-nitrophenyl}adamantane-1-carboxamide |
| Molecular Weight: | 565.07 |
| Molecular Formula: | C29 H33 Cl N6 O4 |
| Smiles: | CCN(CC)c1cccc(c1)Oc1cc(cc(c1)[N+]([O-])=O)NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8989 |
| logD: | 6.8709 |
| logSw: | -6.3764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.56 |
| InChI Key: | SZRHIRVDMDUWMW-UHFFFAOYSA-N |