2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(2-ethoxyphenyl)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-(2-ethoxyphenyl)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-(2-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C200-3130 |
| 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-(2-ethoxyphenyl)acetamide |
| Molecular Weight: | 512.57 |
| Molecular Formula: | C29 H28 N4 O5 |
| Smiles: | CCOc1ccccc1NC(CN1C(N(Cc2ccccc2)C(c2c1c1cc(ccc1n2C)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6648 |
| logD: | 4.6647 |
| logSw: | -4.3671 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.553 |
| InChI Key: | VAMACOCNHVNOJN-UHFFFAOYSA-N |