7-{5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-{5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-{5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0171 |
| Compound Name: | 7-{5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 517.01 |
| Molecular Formula: | C27 H21 Cl N4 O3 S |
| Smiles: | CCN1C(c2ccccc2Sc2cc(ccc12)c1nc(C2CC(N(C2)c2cccc(c2)[Cl])=O)on1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4196 |
| logD: | 6.4195 |
| logSw: | -6.089 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.553 |
| InChI Key: | MCLVPWYTBBSLER-QGZVFWFLSA-N |