3-benzyl-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-benzyl-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-benzyl-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
Compound ID: | E737-1177 |
Compound Name: | 3-benzyl-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
Molecular Weight: | 453.54 |
Molecular Formula: | C28 H27 N3 O3 |
Smiles: | Cc1ccc(C)c(CN2C(N(Cc3ccccc3)C(c3c2c2cc(ccc2n3C)OC)=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 6.1303 |
logD: | 6.1303 |
logSw: | -5.4781 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 41.891 |
InChI Key: | XNMJKGXKQVWKAR-UHFFFAOYSA-N |