ethyl 2-{2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]acetamido}benzoate
ethyl 2-{2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C200-3313 |
| Compound Name: | ethyl 2-{2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]acetamido}benzoate |
| Molecular Weight: | 524.58 |
| Molecular Formula: | C30 H28 N4 O5 |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N(C(c2c1c1cc(C)ccc1n2C)=O)c1cccc(C)c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9649 |
| logD: | 4.9549 |
| logSw: | -4.5631 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.941 |
| InChI Key: | XOSHYERHKQZNQG-UHFFFAOYSA-N |