1-[3,3-bis(4-ethylphenyl)-3'-(4-nitrophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Chemical Structure Depiction of
1-[3,3-bis(4-ethylphenyl)-3'-(4-nitrophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[3,3-bis(4-ethylphenyl)-3'-(4-nitrophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8010-2967 |
| Compound Name: | 1-[3,3-bis(4-ethylphenyl)-3'-(4-nitrophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 579.74 |
| Molecular Formula: | C33 H29 N3 O3 S2 |
| Smiles: | CCc1ccc(cc1)C1(c2ccc(CC)cc2)c2ccccc2C2(N(c3ccc(cc3)[N+]([O-])=O)N=C(C(C)=O)S2)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 9.3892 |
| logD: | 9.3892 |
| logSw: | -5.7781 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.357 |
| InChI Key: | AUVSCTWNJWXWBY-MGBGTMOVSA-N |