4-[2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(2-phenylethyl)butanamide

Formula:C28H25N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(2-phenylethyl)butanamide is not a drug-like molecule.

MolName	4-[2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(2-phenylethyl)butanamide
MolecularFormula	C28H25N3O5S2
Smiles	Oc(cc1)cc(O2)c1C(CSC(N(CCCC(NCCc1ccccc1)=O)C1=O)=Nc3c1scc3)=CC2=O
InChI	InChI=1S/C28H25N3O5S2/c32-20-8-9-21-19(15-25(34)36-23(21)16-20)17-38-28-30-22-11-14-37-26(22)27(35)31(28)13-4-7-24(33)29-12-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,11,14-16,32H,4,7,10,12-13,17H2,(H,29,33)
InChIK	LHWXRPODLBHIBB-UHFFFAOYSA-N
TotalMolweight	547.655
Molweight	547.655
MonoisotopicMass	547.123562
CLogP	3.8947
CLogS	-5.284
H Acceptors	8
H Donors	2
TotalSurfaceArea	400.81
Relative PSA	0.31584
PolarSurfaceArea	161.84
Druglikeness	2.6754
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	9
Symmetricatoms	2
Amides	2
StereoCon

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