tert-butyl (4S)-4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Formula:C16H19N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none tert-butyl (4S)-4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is a drug-like molecule.

MolName	tert-butyl (4S)-4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
MolecularFormula	C16H19N2O3Br
Smiles	CC(C)(C)OC(C([C@@H](c(cccc1)c1Br)N1)=C(C)NC1=O)=O
InChI	InChI=1S/C16H19BrN2O3/c1-9-12(14(20)22-16(2,3)4)13(19-15(21)18-9)10-7-5-6-8-11(10)17/h5-8,13H,1-4H3,(H2,18,19,21)/t13-/m1/s1
InChIK	HWDQKRWSERWUBM-CYBMUJFWSA-N
TotalMolweight	367.242
Molweight	367.242
MonoisotopicMass	366.057904
CLogP	3.1735
CLogS	-3.968
H Acceptors	5
H Donors	2
TotalSurfaceArea	241.68
Relative PSA	0.24412
PolarSurfaceArea	67.43
Druglikeness	-23.259
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
Amides	2
StereoCon	this enantiomer

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