7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-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-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-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: | S636-0856 |
| Compound Name: | 7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 300.36 |
| Molecular Formula: | C16 H20 N4 O2 |
| Smiles: | CN1C(N2CCN(CCC2=N1)Cc1ccc2c(CCO2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5076 |
| logD: | -0.3386 |
| logSw: | -1.8164 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.245 |
| InChI Key: | MQFKVYCLWKVKMK-UHFFFAOYSA-N |