3-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0897 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 489.5 |
| Molecular Formula: | C27 H24 F N3 O5 |
| Smiles: | Cn1c2C(N(C(N(Cc3ccccc3F)c2c2cc(ccc12)OC)=O)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1608 |
| logD: | 4.1608 |
| logSw: | -4.4406 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.54 |
| InChI Key: | AXILCPUQFNOUAK-UHFFFAOYSA-N |