N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-fluorobenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-fluorobenzamide
Compound characteristics
Compound ID: | F036-2104 |
Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-3-fluorobenzamide |
Molecular Weight: | 458.49 |
Molecular Formula: | C26 H23 F N4 O3 |
Smiles: | C(CN/C(NC(c1cccc(c1)F)=O)=N/c1ccc2c(c1)OCCO2)c1c[nH]c2ccccc12 |
Stereo: | ACHIRAL |
logP: | 3.8266 |
logD: | 3.2617 |
logSw: | -4.2239 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 67.387 |
InChI Key: | NBMIZXBTATXUKG-UHFFFAOYSA-N |