methyl 3-{[3-(3-chlorophenyl)-5,8-dimethyl-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-{[3-(3-chlorophenyl)-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]methyl}-4-methoxybenzoate
methyl 3-{[3-(3-chlorophenyl)-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | C200-3179 |
| Compound Name: | methyl 3-{[3-(3-chlorophenyl)-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 517.97 |
| Molecular Formula: | C28 H24 Cl N3 O5 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(C(N1Cc1cc(ccc1OC)C(=O)OC)=O)c1cccc(c1)[Cl])=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 5.4612 |
| logD: | 5.4612 |
| logSw: | -5.8792 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.54 |
| InChI Key: | FEAFYCALGFUFJF-UHFFFAOYSA-N |