2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(2,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(2,5-dimethylphenyl)acetamide
2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(2,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | E737-0627 |
| Compound Name: | 2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(2,5-dimethylphenyl)acetamide |
| Molecular Weight: | 480.57 |
| Molecular Formula: | C29 H28 N4 O3 |
| Smiles: | Cc1ccc(C)c(c1)NC(CN1C(N(Cc2ccccc2)C(c2c1c1cc(C)ccc1n2C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.961 |
| logD: | 4.961 |
| logSw: | -4.6538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.799 |
| InChI Key: | VJSAIGIIOAFBGI-UHFFFAOYSA-N |