N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
Chemical Structure Depiction of
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
Compound characteristics
| Compound ID: | F341-2251 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C25 H28 F N5 O3 |
| Smiles: | Cc1ccc(cc1F)C(NC(\NCCc1c(C)nn(C)c1C)=N/c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6548 |
| logD: | 2.0899 |
| logSw: | -3.0289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.355 |
| InChI Key: | SGWDFCGSJNJWQK-UHFFFAOYSA-N |