2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(oxolan-2-yl)methyl]acetamide
2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | F071-0846 |
| Compound Name: | 2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 448.93 |
| Molecular Formula: | C19 H21 Cl N6 O3 S |
| Smiles: | CSc1c(c(N)n(CC(NCC2CCCO2)=O)n1)c1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4126 |
| logD: | 2.4126 |
| logSw: | -3.6737 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.857 |
| InChI Key: | HKALWPNRPWCCDS-CYBMUJFWSA-N |