3-[(4-chlorophenyl)methyl]-11-(3,5-dimethylphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-11-(3,5-dimethylphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
3-[(4-chlorophenyl)methyl]-11-(3,5-dimethylphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Compound characteristics
| Compound ID: | IB08-3193 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-11-(3,5-dimethylphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one |
| Molecular Weight: | 479.97 |
| Molecular Formula: | C28 H22 Cl N5 O |
| Smiles: | CC1=Nc2c(C(N1Cc1ccc(cc1)[Cl])=O)c1c(nc3ccccc3n1)n2c1cc(C)cc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.67 |
| logD: | 6.67 |
| logSw: | -6.77 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 69.56 |
| InChI Key: | YWJRVWJLOMIELV-UHFFFAOYSA-N |