4-[3-(10-cyclopentyl-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-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
4-[3-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Compound characteristics
| Compound ID: | G946-0644 |
| Compound Name: | 4-[3-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile |
| Molecular Weight: | 464.55 |
| Molecular Formula: | C27 H20 N4 O2 S |
| Smiles: | C1CCC(C1)N1C(c2ccccc2Sc2cc(ccc12)c1nc(c2ccc(C#N)cc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3664 |
| logD: | 6.3664 |
| logSw: | -6.0401 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.45 |
| InChI Key: | YMIUXKLWKJQGKH-UHFFFAOYSA-N |