4-cyano-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-cyano-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
4-cyano-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Compound characteristics
Compound ID: | F341-1029 |
Compound Name: | 4-cyano-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide |
Molecular Weight: | 472.55 |
Molecular Formula: | C26 H28 N6 O3 |
Smiles: | CCn1c(C)c(CCN/C(NC(c2ccc(C#N)cc2)=O)=N/c2ccc3c(c2)OCCO3)c(C)n1 |
Stereo: | ACHIRAL |
logP: | 2.1784 |
logD: | 1.6135 |
logSw: | -2.8765 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.85 |
InChI Key: | GDQJQHNZJMEVSY-UHFFFAOYSA-N |