1-[3'-(4-nitrophenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Chemical Structure Depiction of
1-[3'-(4-nitrophenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[3'-(4-nitrophenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8008-6447 |
| Compound Name: | 1-[3'-(4-nitrophenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 523.63 |
| Molecular Formula: | C29 H21 N3 O3 S2 |
| Smiles: | CC(C1=NN(c2ccc(cc2)[N+]([O-])=O)C2(c3ccccc3C(c3ccccc3)(c3ccccc3)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3178 |
| logD: | 7.3178 |
| logSw: | -5.8423 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.357 |
| InChI Key: | VIWSIZIZEWGACL-GDLZYMKVSA-N |