methyl 3-{[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]methyl}-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-{[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]methyl}-4-methoxybenzoate
methyl 3-{[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | E737-0230 |
| Compound Name: | methyl 3-{[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C29 H27 N3 O5 |
| Smiles: | Cc1cccc(c1)N1C(c2c(c3cc(C)ccc3n2C)N(Cc2cc(ccc2OC)C(=O)OC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3201 |
| logD: | 5.3201 |
| logSw: | -5.4275 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.54 |
| InChI Key: | JNFSGYJUJNJKMM-UHFFFAOYSA-N |