3-benzyl-8-methoxy-5-methyl-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
3-benzyl-8-methoxy-5-methyl-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-benzyl-8-methoxy-5-methyl-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: | E737-1164 |
| Compound Name: | 3-benzyl-8-methoxy-5-methyl-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: | 493.52 |
| Molecular Formula: | C28 H23 N5 O4 |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(N(CC3=CC(N4C=CC=CC4=N3)=O)c2c2cc(ccc12)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.353 |
| logD: | 3.353 |
| logSw: | -3.7131 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.878 |
| InChI Key: | HNNWAPCHPRYFQW-UHFFFAOYSA-N |