5,8-dimethyl-3-(4-methylphenyl)-1-[(3-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
5,8-dimethyl-3-(4-methylphenyl)-1-[(3-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
5,8-dimethyl-3-(4-methylphenyl)-1-[(3-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
Compound ID: | E737-0036 |
Compound Name: | 5,8-dimethyl-3-(4-methylphenyl)-1-[(3-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
Molecular Weight: | 423.51 |
Molecular Formula: | C27 H25 N3 O2 |
Smiles: | Cc1ccc(cc1)N1C(c2c(c3cc(C)ccc3n2C)N(Cc2cccc(C)c2)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 5.8624 |
logD: | 5.8624 |
logSw: | -5.4478 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 33.736 |
InChI Key: | SMCNBFVYLINROY-UHFFFAOYSA-N |