2-(4-bromophenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-bromophenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethan-1-one
2-(4-bromophenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | F897-0680 |
| Compound Name: | 2-(4-bromophenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 455.37 |
| Molecular Formula: | C18 H23 Br N4 O3 S |
| Smiles: | Cc1c(c(C)n(C)n1)S(N1CCN(CC1)C(Cc1ccc(cc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3877 |
| logD: | 1.3877 |
| logSw: | -2.2394 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.717 |
| InChI Key: | IXNSOQUTHWXEHA-UHFFFAOYSA-N |