3-[(4-chlorophenyl)methyl]-2-methyl-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-2-methyl-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
3-[(4-chlorophenyl)methyl]-2-methyl-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Compound characteristics
| Compound ID: | IB09-2289 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-2-methyl-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one |
| Molecular Weight: | 465.94 |
| Molecular Formula: | C27 H20 Cl N5 O |
| Smiles: | CC1=Nc2c(C(N1Cc1ccc(cc1)[Cl])=O)c1c(nc3ccccc3n1)n2c1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 6.06 |
| logD: | 6.06 |
| logSw: | -6.84 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 61.57 |
| InChI Key: | PSRMLNNQFNUCGP-UHFFFAOYSA-N |