benzyl (4S)-4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Formula:C19H17N2O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl (4S)-4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate is a drug-like molecule.

MolName	benzyl (4S)-4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MolecularFormula	C19H17N2O2FS
Smiles	CC(NC(N[C@H]1c(cc2)ccc2F)=S)=C1C(OCc1ccccc1)=O
InChI	InChI=1S/C19H17FN2O2S/c1-12-16(18(23)24-11-13-5-3-2-4-6-13)17(22-19(25)21-12)14-7-9-15(20)10-8-14/h2-10,17H,11H2,1H3,(H2,21,22,25)/t17-/m0/s1
InChIK	KQUCNXKEYHVKMJ-KRWDZBQOSA-N
TotalMolweight	356.42
Molweight	356.42
MonoisotopicMass	356.099476
CLogP	3.1815
CLogS	-4.068
H Acceptors	4
H Donors	2
TotalSurfaceArea	270.69
Relative PSA	0.27323
PolarSurfaceArea	82.45
Druglikeness	0.57899
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
StereoCon	this enantiomer

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