3-benzyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-benzyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-benzyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C200-2227 |
| Compound Name: | 3-benzyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C26 H22 F N3 O2 S |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(=Nc2c2cc(ccc12)OC)SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1768 |
| logD: | 5.1768 |
| logSw: | -5.1545 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.986 |
| InChI Key: | ZODWKENCSLWUMX-UHFFFAOYSA-N |