7-(furan-2-carbonyl)-2-methyl-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-(furan-2-carbonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(furan-2-carbonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
Compound ID: | S636-0674 |
Compound Name: | 7-(furan-2-carbonyl)-2-methyl-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: | CN1C(N2CCN(CCC2=N1)C(c1ccco1)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.2693 |
logD: | 0.2693 |
logSw: | -0.7721 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 58.501 |
InChI Key: | MVOQTMHZVYQELM-UHFFFAOYSA-N |