1-[1-(4-bromothiophen-2-yl)-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Chemical Structure Depiction of
1-[1-(4-bromothiophen-2-yl)-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
1-[1-(4-bromothiophen-2-yl)-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Compound characteristics
| Compound ID: | V007-5350 |
| Compound Name: | 1-[1-(4-bromothiophen-2-yl)-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| Molecular Weight: | 561.42 |
| Molecular Formula: | C26 H20 Br F3 N2 O2 S |
| Smiles: | COc1ccc2c(c1)c1CCN(C(c1[nH]2)c1cc(cs1)[Br])C(/C=C/c1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2751 |
| logD: | 7.2751 |
| logSw: | -5.9221 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.106 |
| InChI Key: | LPGJVMFZVWGASQ-AAHGLTIQSA-N |