7-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0202 |
| Compound Name: | 7-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C26 H23 N3 O4 S |
| Smiles: | CCN1C(c2ccccc2Sc2cc(ccc12)c1nc(Cc2ccc(c(c2)OC)OC)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7359 |
| logD: | 5.7359 |
| logSw: | -5.4244 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.729 |
| InChI Key: | LPHMXIHRLGXKNS-UHFFFAOYSA-N |