3-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
3-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | F897-0607 |
| Compound Name: | 3-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C20 H22 N4 O5 S |
| Smiles: | Cc1c(c(C)n(C)n1)S(N1CCN(CC1)C(C1=Cc2ccccc2OC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2605 |
| logD: | 0.2605 |
| logSw: | -2.0261 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.167 |
| InChI Key: | FEWPTLATJNQIFN-UHFFFAOYSA-N |