N-{N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F036-0413 |
| Compound Name: | N-{N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C25 H21 F N4 O3 |
| Smiles: | C(CN\C(NC(c1ccc2c(c1)OCO2)=O)=N/c1ccc(cc1)F)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.3802 |
| logD: | 4.2754 |
| logSw: | -4.4441 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.679 |
| InChI Key: | VQOYUEWFCZYWOU-UHFFFAOYSA-N |