3-[(2-fluorophenyl)methyl]-5-methyl-N-(2-methylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Formula:C22H18N3O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(2-fluorophenyl)methyl]-5-methyl-N-(2-methylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is a drug-like molecule.

MolName	3-[(2-fluorophenyl)methyl]-5-methyl-N-(2-methylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
MolecularFormula	C22H18N3O2FS
Smiles	Cc1c(C(Nc2c(C)cccc2)=O)sc(N=CN2Cc(cccc3)c3F)c1C2=O
InChI	InChI=1S/C22H18FN3O2S/c1-13-7-3-6-10-17(13)25-20(27)19-14(2)18-21(29-19)24-12-26(22(18)28)11-15-8-4-5-9-16(15)23/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIK	SFAFDEZTVQBVNJ-UHFFFAOYSA-N
TotalMolweight	407.468
Molweight	407.468
MonoisotopicMass	407.110375
CLogP	4.2243
CLogS	-5.839
H Acceptors	5
H Donors	1
TotalSurfaceArea	301.87
Relative PSA	0.24169
PolarSurfaceArea	90.01
Druglikeness	4.8254
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Amides	2
StereoCon

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