2-benzyl-7-(furan-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-benzyl-7-(furan-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(furan-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
Compound ID: | S636-3002 |
Compound Name: | 2-benzyl-7-(furan-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
Molecular Weight: | 338.36 |
Molecular Formula: | C18 H18 N4 O3 |
Smiles: | C1CN(CCN2C1=NN(Cc1ccccc1)C2=O)C(c1ccoc1)=O |
Stereo: | ACHIRAL |
logP: | 1.7618 |
logD: | 1.7618 |
logSw: | -1.8892 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 57.775 |
InChI Key: | GDWSTKUWOYCZFC-UHFFFAOYSA-N |