2-(3-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-(3-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-[(oxolan-2-yl)methyl]acetamide
2-(3-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | 4244-0229 |
Compound Name: | 2-(3-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-[(oxolan-2-yl)methyl]acetamide |
Molecular Weight: | 500.55 |
Molecular Formula: | C28 H28 N4 O5 |
Smiles: | Cc1cccc(c1C)N1C(C(=C\c2cn(CC(NCC3CCCO3)=O)c3ccccc23)\C(NC1=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.535 |
logD: | 2.0887 |
logSw: | -2.5968 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.948 |
InChI Key: | AWCACUCUBZQGLB-HXUWFJFHSA-N |