1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8008-8767 |
| Compound Name: | 1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-methylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 555.16 |
| Molecular Formula: | C32 H27 Cl N2 O S2 |
| Smiles: | CC(C1=NN(c2cccc(c2C)[Cl])C2(c3ccccc3C(c3ccc(C)cc3)(c3ccc(C)cc3)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 9.509 |
| logD: | 9.509 |
| logSw: | -6.4027 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 26.6741 |
| InChI Key: | SGMFDAJGTALBNT-JGCGQSQUSA-N |