ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate

Formula:C24H27N3O5S Mutagenic:high Tumorigenic:none Reproductive Effective:none ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate is a drug-like molecule.

MolNameethyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
MolecularFormulaC24H27N3O5S
SmilesCCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c2c(C)onc2-c2ccccc2)=O)s1)=O
InChIInChI=1S/C24H27N3O5S/c1-6-27(7-2)23(29)20-14(4)17(24(30)31-8-3)22(33-20)25-21(28)18-15(5)32-26-19(18)16-12-10-9-11-13-16/h9-13H,6-8H2,1-5H3,(H,25,28)
InChIKCTQYOSVMYMBINZ-UHFFFAOYSA-N
TotalMolweight469.56
Molweight469.56
MonoisotopicMass469.167142
CLogP4.6028
CLogS-5.559
H Acceptors8
H Donors1
TotalSurfaceArea364.76
Relative PSA0.30039
PolarSurfaceArea129.98
Druglikeness2.8885
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45455
Fragments1
Non HAtoms33
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond9
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms9
Symmetricatoms4
Amides2
Aromatic Nitrogens1
StereoCon

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