7-(2-methylfuran-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
7-(2-methylfuran-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2-methylfuran-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: | S636-4937 |
Compound Name: | 7-(2-methylfuran-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
Molecular Weight: | 262.27 |
Molecular Formula: | C12 H14 N4 O3 |
Smiles: | Cc1c(cco1)C(N1CCC2=NNC(N2CC1)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.3678 |
logD: | 0.3614 |
logSw: | -1.9552 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.806 |
InChI Key: | BBCQXIPEBOOXPY-UHFFFAOYSA-N |