4-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Chemical Structure Depiction of
4-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
4-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Compound characteristics
| Compound ID: | G946-0044 |
| Compound Name: | 4-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C23 H14 N4 O2 S |
| Smiles: | CN1C(c2ccccc2Sc2cc(ccc12)c1nc(c2ccc(C#N)cc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8855 |
| logD: | 4.8855 |
| logSw: | -4.6707 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.9 |
| InChI Key: | NFMKEGRWJAVWFK-UHFFFAOYSA-N |