2-(cyclopropylmethyl)-7-{[(1H-indol-4-yl)methyl](methyl)amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-(cyclopropylmethyl)-7-{[(1H-indol-4-yl)methyl](methyl)amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-(cyclopropylmethyl)-7-{[(1H-indol-4-yl)methyl](methyl)amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S638-2697 |
| Compound Name: | 2-(cyclopropylmethyl)-7-{[(1H-indol-4-yl)methyl](methyl)amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 365.48 |
| Molecular Formula: | C21 H27 N5 O |
| Smiles: | CN(Cc1cccc2c1cc[nH]2)C1CCC2=NN(CC3CC3)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1736 |
| logD: | 1.0674 |
| logSw: | -3.0865 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.416 |
| InChI Key: | BCOHYYIEPQITGG-QGZVFWFLSA-N |