N-{N'-phenyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-phenyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-phenyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-1665 |
| Compound Name: | N-{N'-phenyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | Cc1c(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2ccccc2)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3896 |
| logD: | 1.777 |
| logSw: | -3.0556 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.806 |
| InChI Key: | LBDHCXBDOKNOHN-UHFFFAOYSA-N |