2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S336-0344 |
| Compound Name: | 2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 312.37 |
| Molecular Formula: | C17 H20 N4 O2 |
| Smiles: | C1CCC2=NN(CC(N3CCc4ccccc34)=O)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9821 |
| logD: | 1.9821 |
| logSw: | -2.2112 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.939 |
| InChI Key: | QEIFLXBEJNPYIE-UHFFFAOYSA-N |