3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methyl-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-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methyl-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: | S638-4553 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C16 H24 N6 O2 |
| Smiles: | Cc1c(CCC(NC2CCC3=NN(C)C(N3CC2)=O)=O)c(C)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7228 |
| logD: | 0.7224 |
| logSw: | -1.0543 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.115 |
| InChI Key: | CPVQJKAWQPCZBB-GFCCVEGCSA-N |