3-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
Compound ID: | G856-0787 |
Compound Name: | 3-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
Molecular Weight: | 366.4 |
Molecular Formula: | C18 H14 N4 O3 S |
Smiles: | CN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(cc1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.9868 |
logD: | 2.9868 |
logSw: | -3.4377 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.148 |
InChI Key: | HDDPYLHBVPLPON-UHFFFAOYSA-N |