[7-(5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile
Chemical Structure Depiction of
[7-(5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile
[7-(5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile
Compound characteristics
| Compound ID: | S636-2659 |
| Compound Name: | [7-(5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C20 H27 N7 O2 |
| Smiles: | CC(C)(C)C1CCc2c(C1)c(C(N1CCC3=NN(CC#N)C(N3CC1)=O)=O)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8481 |
| logD: | 1.8481 |
| logSw: | -2.1403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.667 |
| InChI Key: | PVPVEJUCALJLQW-CYBMUJFWSA-N |