[1-(4-bromothiophen-2-yl)-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl][2-fluoro-5-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
[1-(4-bromothiophen-2-yl)-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl][2-fluoro-5-(trifluoromethyl)phenyl]methanone
[1-(4-bromothiophen-2-yl)-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl][2-fluoro-5-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | V009-0284 |
| Compound Name: | [1-(4-bromothiophen-2-yl)-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl][2-fluoro-5-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 553.37 |
| Molecular Formula: | C24 H17 Br F4 N2 O2 S |
| Smiles: | COc1ccc2c(c1)c1CCN(C(c1[nH]2)c1cc(cs1)[Br])C(c1cc(ccc1F)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9654 |
| logD: | 6.9654 |
| logSw: | -5.8832 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.634 |
| InChI Key: | DDFKFRLIOXNLCL-QFIPXVFZSA-N |