1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-ethylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Chemical Structure Depiction of
1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-ethylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-ethylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8010-3591 |
| Compound Name: | 1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-ethylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 583.21 |
| Molecular Formula: | C34 H31 Cl N2 O S2 |
| Smiles: | CCc1ccc(cc1)C1(c2ccc(CC)cc2)c2ccccc2C2(N(c3cccc(c3C)[Cl])N=C(C(C)=O)S2)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 10.5235 |
| logD: | 10.5235 |
| logSw: | -6.3405 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 26.6741 |
| InChI Key: | AKEZTPGABHWHIN-UUWRZZSWSA-N |