cyclohexyl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate

Formula:C23H25N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none cyclohexyl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate is a drug-like molecule.

MolName	cyclohexyl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
MolecularFormula	C23H25N3O4S
Smiles	Cc1c(C(Nc2c(C)cccc2)=O)sc(N=CN2CC(OC3CCCCC3)=O)c1C2=O
InChI	InChI=1S/C23H25N3O4S/c1-14-8-6-7-11-17(14)25-21(28)20-15(2)19-22(31-20)24-13-26(23(19)29)12-18(27)30-16-9-4-3-5-10-16/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,25,28)
InChIK	NMBRMARRFPOPEG-UHFFFAOYSA-N
TotalMolweight	439.535
Molweight	439.535
MonoisotopicMass	439.156577
CLogP	3.819
CLogS	-5.679
H Acceptors	7
H Donors	1
TotalSurfaceArea	331.31
Relative PSA	0.28976
PolarSurfaceArea	116.31
Druglikeness	-0.27586
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	2
Amides	2
StereoCon

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