10-ethyl-7-{5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-ethyl-7-{5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-ethyl-7-{5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0170 |
| Compound Name: | 10-ethyl-7-{5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C28 H24 N4 O3 S |
| Smiles: | CCN1C(c2ccccc2Sc2cc(ccc12)c1nc(C2CC(N(C2)c2ccc(C)cc2)=O)on1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2285 |
| logD: | 6.2285 |
| logSw: | -5.4463 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.553 |
| InChI Key: | XKVMYLZBVNHHNL-IBGZPJMESA-N |