N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(3-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'-(3-ethylphenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(3-ethylphenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
Compound ID: | F340-0435 |
Compound Name: | N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(3-ethylphenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
Molecular Weight: | 447.54 |
Molecular Formula: | C25 H29 N5 O3 |
Smiles: | CCc1cccc(c1)/N=C(\NCc1c(C)nn(CC)c1C)NC(c1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 4.1186 |
logD: | 3.4022 |
logSw: | -4.2681 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.245 |
InChI Key: | CNSMRZHRBDFXPT-UHFFFAOYSA-N |