N-{N'-(3-chloro-4-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-chloro-4-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-1692 |
| Compound Name: | N-{N'-(3-chloro-4-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 457.89 |
| Molecular Formula: | C22 H21 Cl F N5 O3 |
| Smiles: | Cc1c(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2ccc(c(c2)[Cl])F)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2858 |
| logD: | 3.1936 |
| logSw: | -3.7789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.806 |
| InChI Key: | MTNVASZYTNZTAK-UHFFFAOYSA-N |