1-[6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-[6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide
1-[6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | M872-3888 |
| Compound Name: | 1-[6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C20 H18 N6 O4 S |
| Smiles: | C1CC1NC(c1ccn(c2cc(ncn2)SCC(Nc2ccc3c(c2)OCO3)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2924 |
| logD: | 2.2923 |
| logSw: | -3.0157 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.576 |
| InChI Key: | WHRMPPLACYOPQC-UHFFFAOYSA-N |