2'-benzyl-1-[4-(1H-indol-3-yl)butanoyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Chemical Structure Depiction of
2'-benzyl-1-[4-(1H-indol-3-yl)butanoyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
2'-benzyl-1-[4-(1H-indol-3-yl)butanoyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-1213 |
| Compound Name: | 2'-benzyl-1-[4-(1H-indol-3-yl)butanoyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C30 H35 N5 O2 |
| Smiles: | C(CC(N1CCC2(CCC3=NN(Cc4ccccc4)C(N3CC2)=O)CC1)=O)Cc1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.206 |
| logD: | 4.206 |
| logSw: | -4.2278 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.236 |
| InChI Key: | AXQOMEOQMBJEET-UHFFFAOYSA-N |