2-methyl-7-[1-(2-phenylethyl)piperidin-4-yl]-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-methyl-7-[1-(2-phenylethyl)piperidin-4-yl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-7-[1-(2-phenylethyl)piperidin-4-yl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0991 |
| Compound Name: | 2-methyl-7-[1-(2-phenylethyl)piperidin-4-yl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 355.48 |
| Molecular Formula: | C20 H29 N5 O |
| Smiles: | CN1C(N2CCN(CCC2=N1)C1CCN(CC1)CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2892 |
| logD: | 0.5881 |
| logSw: | -2.1228 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.079 |
| InChI Key: | SDLRRHWXKWFZGS-UHFFFAOYSA-N |