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ethyl (2S)-2-[5-chloro-2-methoxy-4-[(4S)-6-methyl-5-[(3-methylphenyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate

Formula:C25H28N3O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl (2S)-2-[5-chloro-2-methoxy-4-[(4S)-6-methyl-5-[(3-methylphenyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate is not a drug-like molecule.
MolNameethyl (2S)-2-[5-chloro-2-methoxy-4-[(4S)-6-methyl-5-[(3-methylphenyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate
MolecularFormulaC25H28N3O5ClS
SmilesCCOC([C@H](C)Oc1cc(Cl)c([C@H](C(C(Nc2cc(C)ccc2)=O)=C(C)N2)NC2=S)cc1OC)=O
InChIInChI=1S/C25H28ClN3O5S/c1-6-33-24(31)15(4)34-20-12-18(26)17(11-19(20)32-5)22-21(14(3)27-25(35)29-22)23(30)28-16-9-7-8-13(2)10-16/h7-12,15,22H,6H2,1-5H3,(H,28,30)(H2,27,29,35)/t15-,22+/m0/s1
InChIKHSXVXPVGAFZRFF-OYHNWAKOSA-N
TotalMolweight518.032
Molweight518.032
MonoisotopicMass517.143819
CLogP4.0305
CLogS-5.499
H Acceptors8
H Donors3
TotalSurfaceArea390.51
Relative PSA0.30335
PolarSurfaceArea130.01
Druglikeness-0.60217
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.51429
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
StereoCenters2
Rotatable Bond9
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms12
Amides1
StereoConthis enantiomer

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