N-{N'-(3-chloro-4-fluorophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-fluorophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-chloro-4-fluorophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-0446 |
| Compound Name: | N-{N'-(3-chloro-4-fluorophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 471.92 |
| Molecular Formula: | C23 H23 Cl F N5 O3 |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2ccc(c(c2)[Cl])F)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8245 |
| logD: | 3.7323 |
| logSw: | -4.4728 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.245 |
| InChI Key: | AHPKYSNCPSDRPE-UHFFFAOYSA-N |