2-{[(4-fluorophenyl)methyl]sulfanyl}-8-methoxy-3,5-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(4-fluorophenyl)methyl]sulfanyl}-8-methoxy-3,5-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(4-fluorophenyl)methyl]sulfanyl}-8-methoxy-3,5-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | L880-0343 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]sulfanyl}-8-methoxy-3,5-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 383.44 |
| Molecular Formula: | C20 H18 F N3 O2 S |
| Smiles: | CN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.3573 |
| logD: | 3.3573 |
| logSw: | -3.6407 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.023 |
| InChI Key: | SIZOCNKVMNNYRO-UHFFFAOYSA-N |