[7-(1H-indole-4-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-(1H-indole-4-carbonyl)-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile
[7-(1H-indole-4-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: | S636-2583 |
| Compound Name: | [7-(1H-indole-4-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: | 336.35 |
| Molecular Formula: | C17 H16 N6 O2 |
| Smiles: | C1CN(CCN2C1=NN(CC#N)C2=O)C(c1cccc2c1cc[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5826 |
| logD: | 0.5826 |
| logSw: | -2.2534 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.495 |
| InChI Key: | DCGKLLBSKFYLDA-UHFFFAOYSA-N |