2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | G856-1311 |
Compound Name: | 2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
Molecular Weight: | 479.51 |
Molecular Formula: | C23 H21 N5 O5 S |
Smiles: | C1CC(CNC(CSC2=Nc3c4ccccc4[nH]c3C(N2c2ccc(cc2)[N+]([O-])=O)=O)=O)OC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1104 |
logD: | 2.1104 |
logSw: | -2.6465 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 99.625 |
InChI Key: | IBRWXOLBDOVUBC-MRXNPFEDSA-N |