1-[3,3-bis(4-bromophenyl)-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-bromophenyl)-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-bromophenyl)-3'-(4-nitrophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8010-1133 |
| Compound Name: | 1-[3,3-bis(4-bromophenyl)-3'-(4-nitrophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 681.42 |
| Molecular Formula: | C29 H19 Br2 N3 O3 S2 |
| Smiles: | CC(C1=NN(c2ccc(cc2)[N+]([O-])=O)C2(c3ccccc3C(c3ccc(cc3)[Br])(c3ccc(cc3)[Br])S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 9.1957 |
| logD: | 9.1957 |
| logSw: | -5.8379 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.357 |
| InChI Key: | NINWTFVGAXOBQD-GDLZYMKVSA-N |