3-benzyl-8-methoxy-5-methyl-1-[(4-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-benzyl-8-methoxy-5-methyl-1-[(4-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-benzyl-8-methoxy-5-methyl-1-[(4-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-1158 |
| Compound Name: | 3-benzyl-8-methoxy-5-methyl-1-[(4-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C27 H25 N3 O3 |
| Smiles: | Cc1ccc(CN2C(N(Cc3ccccc3)C(c3c2c2cc(ccc2n3C)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5076 |
| logD: | 5.5076 |
| logSw: | -5.4684 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.891 |
| InChI Key: | SWQDGQDSOZDVFN-UHFFFAOYSA-N |