1-[(2-chloro-6-fluorophenyl)methyl]-8-methoxy-5-methyl-3-(2-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
1-[(2-chloro-6-fluorophenyl)methyl]-8-methoxy-5-methyl-3-(2-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
1-[(2-chloro-6-fluorophenyl)methyl]-8-methoxy-5-methyl-3-(2-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0969 |
| Compound Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-8-methoxy-5-methyl-3-(2-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 477.92 |
| Molecular Formula: | C26 H21 Cl F N3 O3 |
| Smiles: | Cc1ccccc1N1C(c2c(c3cc(ccc3n2C)OC)N(Cc2c(cccc2[Cl])F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3842 |
| logD: | 5.3842 |
| logSw: | -5.8726 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.979 |
| InChI Key: | NBHXHEWJZIINHT-UHFFFAOYSA-N |