N-(2-methoxy-4-nitrophenyl)-N'-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
Chemical Structure Depiction of
N-(2-methoxy-4-nitrophenyl)-N'-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
N-(2-methoxy-4-nitrophenyl)-N'-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
Compound characteristics
Compound ID: | E002-1759 |
Compound Name: | N-(2-methoxy-4-nitrophenyl)-N'-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea |
Molecular Weight: | 392.43 |
Molecular Formula: | C16 H20 N6 O4 S |
Smiles: | CC1CCCCN1c1nnc(NC(Nc2ccc(cc2OC)[N+]([O-])=O)=O)s1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7542 |
logD: | 3.7496 |
logSw: | -3.9301 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 98.953 |
InChI Key: | JRAAVSMDQWENJQ-JTQLQIEISA-N |