3-(3,4-dimethoxyphenyl)-8-methoxy-5-methyl-1-[(2-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-8-methoxy-5-methyl-1-[(2-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3,4-dimethoxyphenyl)-8-methoxy-5-methyl-1-[(2-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0896 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-8-methoxy-5-methyl-1-[(2-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C28 H27 N3 O5 |
| Smiles: | Cc1ccccc1CN1C(N(C(c2c1c1cc(ccc1n2C)OC)=O)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.639 |
| logD: | 4.639 |
| logSw: | -4.555 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.54 |
| InChI Key: | KKRPXMFSEQFTGW-UHFFFAOYSA-N |