N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3-fluorobenzamide
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}-3-fluorobenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | F340-0829 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3-fluorobenzamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C24 H26 F N5 O3 |
| Smiles: | CCn1c(C)c(CN\C(NC(c2cccc(c2)F)=O)=N/c2ccc3c(c2)OCCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5253 |
| logD: | 1.3267 |
| logSw: | -3.0164 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.953 |
| InChI Key: | VJKQNUAOIUDBKW-UHFFFAOYSA-N |