N-{N'-(2-ethoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(2-ethoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(2-ethoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-0421 |
| Compound Name: | N-{N'-(2-ethoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C25 H29 N5 O4 |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2ccccc2OCC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.417 |
| logD: | 3.1361 |
| logSw: | -3.7984 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.757 |
| InChI Key: | VQKHPXBNOKITKH-UHFFFAOYSA-N |