4-[3-(10-cyclopropyl-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-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
4-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Compound characteristics
| Compound ID: | G946-0494 |
| Compound Name: | 4-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C25 H16 N4 O2 S |
| Smiles: | C1CC1N1C(c2ccccc2Sc2cc(ccc12)c1nc(c2ccc(C#N)cc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7871 |
| logD: | 5.7871 |
| logSw: | -5.9642 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.415 |
| InChI Key: | LWYMPALLEMYFKX-UHFFFAOYSA-N |