N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(2-ethylphenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(2-ethylphenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(2-ethylphenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-0438 |
| Compound Name: | N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(2-ethylphenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | CCc1ccccc1/N=C(\NCc1c(C)nn(CC)c1C)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8696 |
| logD: | 3.3177 |
| logSw: | -4.0607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.547 |
| InChI Key: | PMRRSTPLKLZDMG-UHFFFAOYSA-N |