(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(pyrrolidin-1-yl)methanone
(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | D314-0471 |
| Compound Name: | (2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)sc(n1)n1c(C)c(Cc2ccc3c(c2)OCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9865 |
| logD: | 3.9334 |
| logSw: | -4.1102 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.912 |
| InChI Key: | CIQNBEMZRVIYSX-UHFFFAOYSA-N |