7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0276 |
| Compound Name: | 7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C29 H24 N4 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2cc(ccc12)c1nc(c2ccc(cc2)n2c(C)ccc2C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9354 |
| logD: | 6.9354 |
| logSw: | -5.6349 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.692 |
| InChI Key: | RHPBZYHVZMOQSU-UHFFFAOYSA-N |