(2,3-dihydro-1,4-benzodioxin-2-yl){4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2,3-dihydro-1,4-benzodioxin-2-yl){4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}methanone
(2,3-dihydro-1,4-benzodioxin-2-yl){4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | F897-1034 |
| Compound Name: | (2,3-dihydro-1,4-benzodioxin-2-yl){4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}methanone |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | CC(C)n1c(C)c(c(C)n1)S(N1CCN(CC1)C(C1COc2ccccc2O1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5425 |
| logD: | 1.5425 |
| logSw: | -2.3095 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.864 |
| InChI Key: | IOOKVOCQWWYXKA-IBGZPJMESA-N |