3-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
3-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | F897-0756 |
| Compound Name: | 3-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CCn1c(C)c(c(C)n1)S(N1CCN(CC1)C(C1=Cc2ccccc2OC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7992 |
| logD: | 0.7992 |
| logSw: | -2.0302 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.605 |
| InChI Key: | CVWWVDZYHDAPFE-UHFFFAOYSA-N |