3-heptyl-11-[4-(propan-2-yl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Chemical Structure Depiction of
3-heptyl-11-[4-(propan-2-yl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
3-heptyl-11-[4-(propan-2-yl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Compound characteristics
| Compound ID: | IB08-8002 |
| Compound Name: | 3-heptyl-11-[4-(propan-2-yl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one |
| Molecular Weight: | 453.59 |
| Molecular Formula: | C28 H31 N5 O |
| Smiles: | CCCCCCCN1C=Nc2c(C1=O)c1c(nc3ccccc3n1)n2c1ccc(cc1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 7.21 |
| logD: | 7.21 |
| logSw: | -6.38 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 80.43 |
| InChI Key: | SJTYUOXTNUZGAW-UHFFFAOYSA-N |