3-(3,4-dimethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(3,4-dimethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1337 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C25 H20 F N3 O3 S |
| Smiles: | COc1ccc(cc1OC)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.5943 |
| logD: | 4.5943 |
| logSw: | -4.4865 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.379 |
| InChI Key: | FXEIKIOOIVLRRU-UHFFFAOYSA-N |