N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(3-fluorophenyl)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-fluorophenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(3-fluorophenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-0447 |
| Compound Name: | N-{N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(3-fluorophenyl)carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C23 H24 F N5 O3 |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2cccc(c2)F)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3052 |
| logD: | 3.1335 |
| logSw: | -3.5802 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.245 |
| InChI Key: | DPGSIKBXVBUUPG-UHFFFAOYSA-N |