1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-phenyl-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-phenyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-phenyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0531 |
| Compound Name: | 1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-3-phenyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 457.92 |
| Molecular Formula: | C26 H20 Cl N3 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(C(N1CC(c1ccc(cc1)[Cl])=O)=O)c1ccccc1)=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 4.6151 |
| logD: | 4.6151 |
| logSw: | -4.8004 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.983 |
| InChI Key: | UMLHSZAWJQYRQG-UHFFFAOYSA-N |