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

Formula:C27H24N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl (4S)-4-(4-benzoyloxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate is a drug-like molecule.

MolName	benzyl (4S)-4-(4-benzoyloxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MolecularFormula	C27H24N2O5S
Smiles	CC(NC(N[C@H]1c(cc2)cc(OC)c2OC(c2ccccc2)=O)=S)=C1C(OCc1ccccc1)=O
InChI	InChI=1S/C27H24N2O5S/c1-17-23(26(31)33-16-18-9-5-3-6-10-18)24(29-27(35)28-17)20-13-14-21(22(15-20)32-2)34-25(30)19-11-7-4-8-12-19/h3-15,24H,16H2,1-2H3,(H2,28,29,35)/t24-/m0/s1
InChIK	NJCXASGTGHAMJX-DEOSSOPVSA-N
TotalMolweight	488.563
Molweight	488.563
MonoisotopicMass	488.140593
CLogP	4.4412
CLogS	-5.242
H Acceptors	7
H Donors	2
TotalSurfaceArea	374.11
Relative PSA	0.28601
PolarSurfaceArea	117.98
Druglikeness	2.046
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	4
StereoCon	this enantiomer

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