7-amino-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
7-amino-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
7-amino-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: | S638-4139 |
| Compound Name: | 7-amino-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: | 327.38 |
| Molecular Formula: | C17 H21 N5 O2 |
| Smiles: | C1CC2=NN(CC(N3CCc4ccccc34)=O)C(N2CCC1N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4813 |
| logD: | -3.5115 |
| logSw: | -1.5593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.713 |
| InChI Key: | OXJQHAGZQOHWIG-CYBMUJFWSA-N |