N-(2,4-dimethylphenyl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
N-(2,4-dimethylphenyl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G856-1288 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 522.55 |
| Molecular Formula: | C27 H21 F3 N4 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3871 |
| logD: | 5.3871 |
| logSw: | -5.7206 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.569 |
| InChI Key: | ORBICXQCMFBSLC-UHFFFAOYSA-N |