1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0060 |
| Compound Name: | 1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C27 H22 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1)N1C(c2c(c3cc(C)ccc3n2C)N(CC(c2ccc(cc2)[Cl])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.16 |
| logD: | 5.16 |
| logSw: | -5.5905 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.983 |
| InChI Key: | GSZWCJYOHCBFNY-UHFFFAOYSA-N |