diethyl 2-{[(4-methylpiperazino)carbothioyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
Basic information
- CAS
724709-22-2- Standard SMILES
CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CCN(C(=O)OCC)C2- InChIKey
FUIWCTNFFFMDPM-UHFFFAOYSA-N- Molecular formula
- C19H28N4O4S2
- Average molar mass
- 440.6 g/mol
Names & identifiers
- Preferred name
- diethyl 2-{[(4-methylpiperazino)carbothioyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
- IUPAC
- diethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
- English name
- diethyl 2-{[(4-methyl-1-piperazinyl)carbothioyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
- Molecular formula
- C19H28N4O4S2
- Molecular weight
- 440.58002
Names & synonyms
diethyl 2-{[(4-methylpiperazino)carbothioyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylateMLS000859718CHEMBL1599215HMS2781J08diethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylateSMR000459097AO-476/43380645SR-01000003608SR-01000003608-1diethyl 2-{[(4-methyl-1-piperazinyl)carbothioyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
Database identifiers
- CAS
724709-22-2- ChEMBL
CHEMBL1599215
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 615
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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