{7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-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-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl}acetonitrile
{7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-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: | S636-5346 |
| Compound Name: | {7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl}acetonitrile |
| Molecular Weight: | 344.37 |
| Molecular Formula: | C16 H20 N6 O3 |
| Smiles: | Cc1c(CCC(N2CCC3=NN(CC#N)C(N3CC2)=O)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | -0.0556 |
| logD: | -0.0556 |
| logSw: | 0.1529 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 89.225 |
| InChI Key: | IIPLPRAYDOLLLZ-UHFFFAOYSA-N |