N-[(4-fluorophenyl)methyl]-2-{[3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-[(4-fluorophenyl)methyl]-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1056 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C26 H21 F N4 O3 S |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7407 |
| logD: | 3.7407 |
| logSw: | -4.2267 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.133 |
| InChI Key: | VEPBKKGVYOXIIU-UHFFFAOYSA-N |