2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[(2-chlorophenyl)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-[(2-chlorophenyl)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-[(2-chlorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C200-3175 |
| 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-chlorophenyl)methyl]acetamide |
| Molecular Weight: | 500.98 |
| Molecular Formula: | C28 H25 Cl N4 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C(N1CC(NCc1ccccc1[Cl])=O)=O)=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 5.2796 |
| logD: | 5.2796 |
| logSw: | -5.7388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.819 |
| InChI Key: | WICYGVLRFUIZRM-UHFFFAOYSA-N |