N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-(phenoxymethyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-(phenoxymethyl)-1H-pyrazole-3-carboxamide
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-(phenoxymethyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-2549 |
| Compound Name: | N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-(phenoxymethyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C24 H26 N4 O2 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1csc(NC(c2ccn(COc3ccccc3)n2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1296 |
| logD: | 6.0986 |
| logSw: | -5.9551 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.501 |
| InChI Key: | VAALHHIMPXOBTR-UHFFFAOYSA-N |