3-heptyl-11-(2-methoxy-5-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Chemical Structure Depiction of
3-heptyl-11-(2-methoxy-5-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
3-heptyl-11-(2-methoxy-5-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Compound characteristics
| Compound ID: | IB08-4909 |
| Compound Name: | 3-heptyl-11-(2-methoxy-5-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C27 H29 N5 O2 |
| Smiles: | CCCCCCCN1C=Nc2c(C1=O)c1c(nc3ccccc3n1)n2c1cc(C)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.11 |
| logD: | 6.11 |
| logSw: | -6.46 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 75.7 |
| InChI Key: | OGJGNCIWYMFYPJ-UHFFFAOYSA-N |