Menu

N-(3-methoxyphenyl)-2-[[(12S)-4-(3-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]acetamide

Formula:C28H29N3O4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-(3-methoxyphenyl)-2-[[(12S)-4-(3-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]acetamide is not a drug-like molecule.
MolNameN-(3-methoxyphenyl)-2-[[(12S)-4-(3-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]acetamide
MolecularFormulaC28H29N3O4S2
SmilesCC(C)[C@H](C1)OCc2c1c(C(N(c1cc(C)ccc1)C(SCC(Nc1cc(OC)ccc1)=O)=N1)=O)c1s2
InChIInChI=1S/C28H29N3O4S2/c1-16(2)22-13-21-23(14-35-22)37-26-25(21)27(33)31(19-9-5-7-17(3)11-19)28(30-26)36-15-24(32)29-18-8-6-10-20(12-18)34-4/h5-12,16,22H,13-15H2,1-4H3,(H,29,32)/t22-/m0/s1
InChIKWURRKLVRKGBKDR-QFIPXVFZSA-N
TotalMolweight535.687
Molweight535.687
MonoisotopicMass535.159947
CLogP4.7528
CLogS-7.223
H Acceptors7
H Donors1
TotalSurfaceArea394.76
Relative PSA0.27979
PolarSurfaceArea133.77
Druglikeness3.1821
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48649
Fragments1
Non HAtoms37
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms12
Symmetricatoms1
Amides2
StereoConthis enantiomer

Request More Details | N-(3-methoxyphenyl)-2-[[(12S)-4-(3-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]acetamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments