N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G864-0080 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 480.89 |
| Molecular Formula: | C21 H16 Cl F3 N4 O2 S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5114 |
| logD: | 4.4916 |
| logSw: | -4.6191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.177 |
| InChI Key: | RMENPZFUVFZGKG-UHFFFAOYSA-N |