N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1H-pyrazol-1-yl)propanamide
N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | S638-4489 |
| Compound Name: | N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-(1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 290.32 |
| Molecular Formula: | C13 H18 N6 O2 |
| Smiles: | C1CC2=NNC(N2CCC1NC(CCn1cccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.199 |
| logD: | -0.2055 |
| logSw: | -0.8392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.623 |
| InChI Key: | OROIBWFBGVGKSJ-SNVBAGLBSA-N |