N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-0453 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C25 H27 N5 O5 |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2ccc3c(c2)OCCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.325 |
| logD: | 1.1264 |
| logSw: | -2.9571 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.068 |
| InChI Key: | PNGONLKTVYXWOG-UHFFFAOYSA-N |