3-benzyl-1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-benzyl-1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-benzyl-1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0612 |
| Compound Name: | 3-benzyl-1-[2-(4-chlorophenyl)-2-oxoethyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C27 H22 Cl N3 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C(N1CC(c1ccc(cc1)[Cl])=O)=O)=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 5.4582 |
| logD: | 5.4582 |
| logSw: | -5.9419 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.594 |
| InChI Key: | ZHCBSMKTWCWRFT-UHFFFAOYSA-N |