2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-(2-ethyl-6-methylphenyl)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-ethyl-6-methylphenyl)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-ethyl-6-methylphenyl)acetamide
Compound characteristics
| Compound ID: | E737-0625 |
| 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-ethyl-6-methylphenyl)acetamide |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C30 H30 N4 O3 |
| Smiles: | CCc1cccc(C)c1NC(CN1C(N(Cc2ccccc2)C(c2c1c1cc(C)ccc1n2C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5885 |
| logD: | 5.5885 |
| logSw: | -5.3937 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.101 |
| InChI Key: | GMRRCPZPVWNGAF-UHFFFAOYSA-N |