3-(4-ethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-ethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1115 |
| Compound Name: | 3-(4-ethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C25 H20 F N3 O2 S |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.1411 |
| logD: | 5.1411 |
| logSw: | -5.2671 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.241 |
| InChI Key: | AANYHVITZPVDIJ-UHFFFAOYSA-N |