N-{N'-(3,4-dimethoxyphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3,4-dimethoxyphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3,4-dimethoxyphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-1697 |
| Compound Name: | N-{N'-(3,4-dimethoxyphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C24 H27 N5 O5 |
| Smiles: | Cc1c(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2ccc(c(c2)OC)OC)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3486 |
| logD: | 1.4243 |
| logSw: | -3.0109 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.067 |
| InChI Key: | KQZBBEWHVHRNPY-UHFFFAOYSA-N |