2-{3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]acetamide
2-{3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L690-1055 |
| Compound Name: | 2-{3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H30 N6 O3 |
| Smiles: | Cc1ccc(CNC(Cn2c3C(N(Cc4nc(C(C)(C)C)no4)C=Nc3c3cc(C)ccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7071 |
| logD: | 4.7071 |
| logSw: | -4.4856 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.014 |
| InChI Key: | IXTOLESVAXAJHN-UHFFFAOYSA-N |