2-[2-(4-methoxyphenyl)ethenyl]-5-(propan-2-ylidene)-5H-[1,2,4]triazolo[1,5-d][1,4]benzodiazepin-6(7H)-one
Chemical Structure Depiction of
2-[2-(4-methoxyphenyl)ethenyl]-5-(propan-2-ylidene)-5H-[1,2,4]triazolo[1,5-d][1,4]benzodiazepin-6(7H)-one
2-[2-(4-methoxyphenyl)ethenyl]-5-(propan-2-ylidene)-5H-[1,2,4]triazolo[1,5-d][1,4]benzodiazepin-6(7H)-one
Compound characteristics
| Compound ID: | 8019-9447 |
| Compound Name: | 2-[2-(4-methoxyphenyl)ethenyl]-5-(propan-2-ylidene)-5H-[1,2,4]triazolo[1,5-d][1,4]benzodiazepin-6(7H)-one |
| Molecular Weight: | 372.43 |
| Molecular Formula: | C22 H20 N4 O2 |
| Smiles: | CC(C)=C1C(Nc2ccccc2c2nc(/C=C/c3ccc(cc3)OC)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4318 |
| logD: | 4.2166 |
| logSw: | -4.4416 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.266 |
| InChI Key: | CYFGOUOMJZATCH-UHFFFAOYSA-N |