2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E737-0586 |
| 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-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 480.57 |
| Molecular Formula: | C29 H28 N4 O3 |
| Smiles: | Cc1ccc(CNC(CN2C(N(Cc3ccccc3)C(c3c2c2cc(C)ccc2n3C)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.921 |
| logD: | 4.921 |
| logSw: | -4.7136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.819 |
| InChI Key: | TYMKTSQILGDCJK-UHFFFAOYSA-N |