methyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
methyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
methyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 8012-8851 |
| Compound Name: | methyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 508.66 |
| Molecular Formula: | C30 H24 N2 O2 S2 |
| Smiles: | Cc1ccc(cc1)N1C2(c3ccccc3C(c3ccccc3)(c3ccccc3)S2)SC(C(=O)OC)=N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.9947 |
| logD: | 7.9947 |
| logSw: | -5.9231 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.322 |
| InChI Key: | ZQOHAVCWWWIXKI-SSEXGKCCSA-N |