N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-0443 |
| Compound Name: | N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2cccc(c2)SC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.658 |
| logD: | 3.6125 |
| logSw: | -3.9907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.245 |
| InChI Key: | GXVZCRMRPDQGCN-UHFFFAOYSA-N |