(10Z)-10-({3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-7-(4-fluorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Chemical Structure Depiction of
(10Z)-10-({3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-7-(4-fluorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
(10Z)-10-({3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-7-(4-fluorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Compound characteristics
| Compound ID: | IB01-9043 |
| Compound Name: | (10Z)-10-({3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-7-(4-fluorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one |
| Molecular Weight: | 841.44 |
| Molecular Formula: | C34 H22 F I2 N3 O4 S |
| Smiles: | C1Cc2ccccc2C2=C1C(c1ccc(cc1)F)N1C(=N2)SC(=C/c2cc(c(c(c2)I)OCc2ccc(cc2)[N+]([O-])=O)I)\C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 9.57 |
| logD: | 9.57 |
| logSw: | -9.78 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 166.12 |
| InChI Key: | FXMNXLWOKSORKO-WJOKGBTCSA-N |