7-(3,4-dimethoxyphenyl)-10-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Chemical Structure Depiction of
7-(3,4-dimethoxyphenyl)-10-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
7-(3,4-dimethoxyphenyl)-10-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Compound characteristics
| Compound ID: | 8011-8272 |
| Compound Name: | 7-(3,4-dimethoxyphenyl)-10-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one |
| Molecular Weight: | 591.71 |
| Molecular Formula: | C35 H30 F N3 O3 S |
| Smiles: | Cc1cc(\C=C2/C(N3C(C4CCc5ccccc5C=4N=C3S2)c2ccc(c(c2)OC)OC)=O)c(C)n1c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9939 |
| logD: | 5.2979 |
| logSw: | -5.7719 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.125 |
| InChI Key: | YQYLKUUAIPGFOY-XIFFEERXSA-N |