methyl 3-[(3-benzyl-8-methoxy-5-methyl-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-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)methyl]-4-methoxybenzoate
methyl 3-[(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)methyl]-4-methoxybenzoate
Compound characteristics
| Compound ID: | C200-3134 |
| Compound Name: | methyl 3-[(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)methyl]-4-methoxybenzoate |
| Molecular Weight: | 513.55 |
| Molecular Formula: | C29 H27 N3 O6 |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(N(Cc3cc(ccc3OC)C(=O)OC)c2c2cc(ccc12)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1135 |
| logD: | 5.1135 |
| logSw: | -5.2165 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.695 |
| InChI Key: | RJTJMAXZYPKLOU-UHFFFAOYSA-N |