1-[(2-chloro-4-fluorophenyl)methyl]-5,8-dimethyl-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-5,8-dimethyl-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
1-[(2-chloro-4-fluorophenyl)methyl]-5,8-dimethyl-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0033 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-5,8-dimethyl-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 461.92 |
| Molecular Formula: | C26 H21 Cl F N3 O2 |
| Smiles: | Cc1ccc(cc1)N1C(c2c(c3cc(C)ccc3n2C)N(Cc2ccc(cc2[Cl])F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9406 |
| logD: | 5.9406 |
| logSw: | -6.0659 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.736 |
| InChI Key: | VGUREFDTZIPAIH-UHFFFAOYSA-N |