2-(4-chlorophenoxy)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one
2-(4-chlorophenoxy)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | F897-1000 |
| Compound Name: | 2-(4-chlorophenoxy)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 454.97 |
| Molecular Formula: | C20 H27 Cl N4 O4 S |
| Smiles: | CC(C)n1c(C)c(c(C)n1)S(N1CCN(CC1)C(COc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7826 |
| logD: | 1.7826 |
| logSw: | -2.7618 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.399 |
| InChI Key: | UBEMIPCBZYXDJN-UHFFFAOYSA-N |