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methyl (2S)-2-[[(12S)-4-(2-methylphenyl)-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]propanoate

Formula:C23H26N2O4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none methyl (2S)-2-[[(12S)-4-(2-methylphenyl)-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]propanoate is a drug-like molecule.
MolNamemethyl (2S)-2-[[(12S)-4-(2-methylphenyl)-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]propanoate
MolecularFormulaC23H26N2O4S2
SmilesCC(C)[C@H](C1)OCc2c1c(C(N(c1c(C)cccc1)C(S[C@@H](C)C(OC)=O)=N1)=O)c1s2
InChIInChI=1S/C23H26N2O4S2/c1-12(2)17-10-15-18(11-29-17)31-20-19(15)21(26)25(16-9-7-6-8-13(16)3)23(24-20)30-14(4)22(27)28-5/h6-9,12,14,17H,10-11H2,1-5H3/t14-,17-/m0/s1
InChIKIXWFCNODAAQHDA-YOEHRIQHSA-N
TotalMolweight458.601
Molweight458.601
MonoisotopicMass458.133398
CLogP3.9947
CLogS-6.03
H Acceptors6
TotalSurfaceArea334.54
Relative PSA0.2959
PolarSurfaceArea121.74
Druglikeness-1.1173
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45161
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
StereoCenters2
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms13
Symmetricatoms1
Amides1
StereoConthis enantiomer

Request More Details | methyl (2S)-2-[[(12S)-4-(2-methylphenyl)-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]propanoate


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