2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-0822 |
| Compound Name: | 2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 494.49 |
| Molecular Formula: | C25 H17 F3 N4 O2 S |
| Smiles: | C(C(Nc1ccccc1C(F)(F)F)=O)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.442 |
| logD: | 4.442 |
| logSw: | -4.5407 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.569 |
| InChI Key: | ZGHXNZMXEAUDHB-UHFFFAOYSA-N |