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[4-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate

Formula:C23H19N5O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
MolName[4-[(Z)-[5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] thiophene-2-carboxylate
MolecularFormulaC23H19N5O5S2
SmilesN=C(/C1=C/c(cc2)ccc2OC(c2cccs2)=O)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O
InChIInChI=1S/C23H19N5O5S2/c24-20-16(12-14-3-5-15(6-4-14)33-22(31)17-2-1-11-34-17)21(30)25-23-28(20)26-18(35-23)13-19(29)27-7-9-32-10-8-27/h1-6,11-12,24H,7-10,13H2
InChIKOUYINXSCHJWSGQ-UHFFFAOYSA-N
TotalMolweight509.566
Molweight509.566
MonoisotopicMass509.08276
CLogP1.2246
CLogS-2.758
H Acceptors10
H Donors1
TotalSurfaceArea359.56
Relative PSA0.39685
PolarSurfaceArea178.26
Druglikeness7.0101
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.6
Fragments1
Non HAtoms35
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms8
Symmetricatoms4
Amides1
BasicNitrogens1
StereoCon

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