7-{5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-{5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-{5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0233 |
| Compound Name: | 7-{5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 492.39 |
| Molecular Formula: | C24 H18 Br N3 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2cc(ccc12)c1nc(Cc2ccc(cc2)[Br])on1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9512 |
| logD: | 6.9512 |
| logSw: | -5.6492 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.468 |
| InChI Key: | PNSJEHAJKJBTRP-UHFFFAOYSA-N |