5,8-dimethyl-3-(3-methylphenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
5,8-dimethyl-3-(3-methylphenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
5,8-dimethyl-3-(3-methylphenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0177 |
| Compound Name: | 5,8-dimethyl-3-(3-methylphenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C28 H23 N5 O3 |
| Smiles: | Cc1cccc(c1)N1C(c2c(c3cc(C)ccc3n2C)N(CC2=CC(N3C=CC=CC3=N2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5596 |
| logD: | 3.5596 |
| logSw: | -3.7011 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.722 |
| InChI Key: | WAQYWQIUGHSDEW-UHFFFAOYSA-N |