2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(4-methoxyphenyl)acetamide
2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | E737-1181 |
| Compound Name: | 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C28 H26 N4 O5 |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(N(CC(Nc3ccc(cc3)OC)=O)c2c2cc(ccc12)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4725 |
| logD: | 4.4725 |
| logSw: | -4.4313 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.584 |
| InChI Key: | DKFKPZJXOMQTPO-UHFFFAOYSA-N |