N-(2,4-difluorophenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(2,4-difluorophenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-0755 |
| Compound Name: | N-(2,4-difluorophenyl)-2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 400.4 |
| Molecular Formula: | C19 H14 F2 N4 O2 S |
| Smiles: | CN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6525 |
| logD: | 2.6476 |
| logSw: | -3.2095 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.218 |
| InChI Key: | UMRTYGVPFJGCJB-UHFFFAOYSA-N |