3-benzyl-1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-benzyl-1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-benzyl-1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0587 |
| Compound Name: | 3-benzyl-1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C28 H27 N3 O2 |
| Smiles: | Cc1ccc(C)c(CN2C(N(Cc3ccccc3)C(c3c2c2cc(C)ccc2n3C)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.56 |
| logD: | 6.56 |
| logSw: | -5.6312 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.347 |
| InChI Key: | XRUGLMZSSUXJQD-UHFFFAOYSA-N |