N-[(4-fluorophenyl)methyl]-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-[(4-fluorophenyl)methyl]-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-0844 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C25 H19 F N4 O2 S |
| Smiles: | C(c1ccc(cc1)F)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6368 |
| logD: | 3.6368 |
| logSw: | -4.2668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.589 |
| InChI Key: | LJJCFIGQNLHAOZ-UHFFFAOYSA-N |