5,8-dimethyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
5,8-dimethyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
5,8-dimethyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0044 |
| Compound Name: | 5,8-dimethyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C29 H25 N5 O3 |
| Smiles: | CC1=CC=CC2=NC(CN3C(N(C(c4c3c3cc(C)ccc3n4C)=O)c3ccc(C)cc3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7914 |
| logD: | 3.7914 |
| logSw: | -4.0044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.387 |
| InChI Key: | HNJFWIIUKSSUNL-UHFFFAOYSA-N |