4-(1H-indol-3-yl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)butanamide
Chemical Structure Depiction of
4-(1H-indol-3-yl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)butanamide
4-(1H-indol-3-yl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)butanamide
Compound characteristics
| Compound ID: | S638-0054 |
| Compound Name: | 4-(1H-indol-3-yl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)butanamide |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C19 H23 N5 O2 |
| Smiles: | C(CC(NC1CCC2=NNC(N2CC1)=O)=O)Cc1c[nH]c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0248 |
| logD: | 2.0183 |
| logSw: | -2.3546 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.721 |
| InChI Key: | DFOMLIRWSIWDIQ-CQSZACIVSA-N |