N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
Chemical Structure Depiction of
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide
Compound characteristics
| Compound ID: | F036-2106 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-fluoro-4-methylbenzamide |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C27 H25 F N4 O3 |
| Smiles: | Cc1ccc(cc1F)C(NC(/NCCc1c[nH]c2ccccc12)=N/c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3734 |
| logD: | 3.8085 |
| logSw: | -4.3367 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.387 |
| InChI Key: | AJOXZYYMWMYJKG-UHFFFAOYSA-N |