3-chloro-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-4-fluorobenzamide
Chemical Structure Depiction of
3-chloro-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-4-fluorobenzamide
3-chloro-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | F036-2105 |
| Compound Name: | 3-chloro-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-4-fluorobenzamide |
| Molecular Weight: | 492.94 |
| Molecular Formula: | C26 H22 Cl F N4 O3 |
| Smiles: | C(CN\C(NC(c1ccc(c(c1)[Cl])F)=O)=N/c1ccc2c(c1)OCCO2)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2438 |
| logD: | 3.6789 |
| logSw: | -4.6836 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.387 |
| InChI Key: | VDZLCMARMDWFKN-UHFFFAOYSA-N |