[7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-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-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile
[7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-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: | S636-2978 |
| Compound Name: | [7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile |
| Molecular Weight: | 352.37 |
| Molecular Formula: | C13 H16 N6 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCC2=NN(CC#N)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4389 |
| logD: | -0.4389 |
| logSw: | -0.7655 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 104.815 |
| InChI Key: | KJXHBACEDYONLN-UHFFFAOYSA-N |