N-[(4-fluorophenyl)methyl]-2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-[(4-fluorophenyl)methyl]-2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G864-0148 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H21 F N4 O3 S |
| Smiles: | COCCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5178 |
| logD: | 2.5178 |
| logSw: | -2.6865 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.793 |
| InChI Key: | XPKCJHCXWFMQGP-UHFFFAOYSA-N |