Menu

(5Z)-5-[[2-(3-morpholin-4-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C27H29N5O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(3-morpholin-4-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-5-[[2-(3-morpholin-4-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC27H29N5O3S2
SmilesO=C(/C(/S1)=C/C2=C(NCCCN3CCOCC3)N=C(C=CC=C3)N3C2=O)N(CCc2ccccc2)C1=S
InChIInChI=1S/C27H29N5O3S2/c33-25-21(19-22-26(34)32(27(36)37-22)14-10-20-7-2-1-3-8-20)24(29-23-9-4-5-13-31(23)25)28-11-6-12-30-15-17-35-18-16-30/h1-5,7-9,13,19,28H,6,10-12,14-18H2
InChIKBAXMALQZCBWVCG-UHFFFAOYSA-N
TotalMolweight535.691
Molweight535.691
MonoisotopicMass535.17118
CLogP1.2362
CLogS-4.647
H Acceptors8
H Donors1
TotalSurfaceArea404.76
Relative PSA0.28459
PolarSurfaceArea134.87
Druglikeness5.7758
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.54054
Fragments1
Non HAtoms37
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms13
Symmetricatoms4
Amides2
Amines1
AlkylAmines1
BasicNitrogens2
StereoCon

Request More Details | (5Z)-5-[[2-(3-morpholin-4-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one


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