7-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0330 |
| Compound Name: | 7-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 581.71 |
| Molecular Formula: | C32 H27 N3 O4 S2 |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)c1nc(c2cccc(CS(c3ccc(C)cc3)(=O)=O)c2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6246 |
| logD: | 7.6246 |
| logSw: | -5.6499 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.821 |
| InChI Key: | CZLLIBSVJAHHIJ-UHFFFAOYSA-N |