2-(5,8-dimethyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(5,8-dimethyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
2-(5,8-dimethyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E737-0502 |
| Compound Name: | 2-(5,8-dimethyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C28 H26 N4 O3 |
| Smiles: | Cc1ccc(CNC(CN2C(N(C(c3c2c2cc(C)ccc2n3C)=O)c2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0779 |
| logD: | 4.0779 |
| logSw: | -4.1908 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.207 |
| InChI Key: | ZSTXVUNHZJPXEC-UHFFFAOYSA-N |