3-(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)propanamide
Chemical Structure Depiction of
3-(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)propanamide
3-(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)propanamide
Compound characteristics
| Compound ID: | S638-0065 |
| Compound Name: | 3-(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)propanamide |
| Molecular Weight: | 339.4 |
| Molecular Formula: | C18 H21 N5 O2 |
| Smiles: | C1CC2=NNC(N2CCC1NC(CCc1c[nH]c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8872 |
| logD: | 1.8807 |
| logSw: | -2.2635 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.721 |
| InChI Key: | KBHINCFVLZDFRV-CYBMUJFWSA-N |