2-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-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: | S636-1464 |
| Compound Name: | 2-(2-methoxyethyl)-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: | 399.54 |
| Molecular Formula: | C22 H33 N5 O2 |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)C1CCN(CC1)CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.237 |
| logD: | 0.536 |
| logSw: | -2.171 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.721 |
| InChI Key: | CPGFFLPZWPQUTI-UHFFFAOYSA-N |