Menu

N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Formula:C27H23N5O4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is not a drug-like molecule.
MolNameN-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
MolecularFormulaC27H23N5O4S2
Smiles[O-][N+](c1c(/C=C/C=N\NC(CSC(N2c3ccccc3)=Nc(sc3c4CCCC3)c4C2=O)=O)cccc1)=O
InChIInChI=1S/C27H23N5O4S2/c33-23(30-28-16-8-10-18-9-4-6-14-21(18)32(35)36)17-37-27-29-25-24(20-13-5-7-15-22(20)38-25)26(34)31(27)19-11-2-1-3-12-19/h1-4,6,8-12,14,16H,5,7,13,15,17H2,(H,30,33)
InChIKWBZHUJWKKAWOHT-UHFFFAOYSA-N
TotalMolweight545.643
Molweight545.643
MonoisotopicMass545.119145
CLogP4.5202
CLogS-8.129
H Acceptors9
H Donors1
TotalSurfaceArea403.17
Relative PSA0.32835
PolarSurfaceArea173.49
Druglikeness-2.558
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms7
Symmetricatoms2
Amides1
AcidicOxygens1
StereoCon

Request More Details | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments