2-{8-methyl-4-oxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{8-methyl-4-oxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]acetamide
2-{8-methyl-4-oxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
Compound ID: | L690-0785 |
Compound Name: | 2-{8-methyl-4-oxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]acetamide |
Molecular Weight: | 484.56 |
Molecular Formula: | C27 H28 N6 O3 |
Smiles: | CCCc1nc(CN2C=Nc3c4cc(C)ccc4n(CC(NCc4ccc(C)cc4)=O)c3C2=O)on1 |
Stereo: | ACHIRAL |
logP: | 4.2601 |
logD: | 4.2601 |
logSw: | -4.2505 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.005 |
InChI Key: | BRDXQYKMZCQTJG-UHFFFAOYSA-N |