N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
Compound ID: | F036-2089 |
Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
Molecular Weight: | 484.51 |
Molecular Formula: | C27 H24 N4 O5 |
Smiles: | C(CN\C(NC(c1ccc2c(c1)OCO2)=O)=N/c1ccc2c(c1)OCCO2)c1c[nH]c2ccccc12 |
Stereo: | ACHIRAL |
logP: | 3.6263 |
logD: | 3.0614 |
logSw: | -4.1467 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 84.502 |
InChI Key: | XXFPKSNKGUTKII-UHFFFAOYSA-N |