7-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0406 |
| Compound Name: | 7-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C28 H27 N3 O4 S |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)c1nc(c2ccc(c(c2)OCC)OCC)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.672 |
| logD: | 6.672 |
| logSw: | -5.6239 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.477 |
| InChI Key: | ZITJZRHKXGCCCL-UHFFFAOYSA-N |