3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0174 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C28 H27 N3 O3 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(CCc3ccc(c(c3)OC)OC)C=N1)=O)n2Cc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7792 |
| logD: | 4.7792 |
| logSw: | -4.8334 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.168 |
| InChI Key: | NLMGUHKXPWMUJP-UHFFFAOYSA-N |