3-benzyl-1-[(4-methoxyphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-benzyl-1-[(4-methoxyphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-benzyl-1-[(4-methoxyphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0623 |
| Compound Name: | 3-benzyl-1-[(4-methoxyphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C27 H25 N3 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C(N1Cc1ccc(cc1)OC)=O)=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 5.4963 |
| logD: | 5.4963 |
| logSw: | -5.4684 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.891 |
| InChI Key: | WKMLXQRIPJDQHB-UHFFFAOYSA-N |