Menu

ethyl 4-[[2-[[(1S,2R,6R,8R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]acetyl]amino]benzoate

Formula:C23H30N2O9 Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 4-[[2-[[(1S,2R,6R,8R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]acetyl]amino]benzoate is not a drug-like molecule.
MolNameethyl 4-[[2-[[(1S,2R,6R,8R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]acetyl]amino]benzoate
MolecularFormulaC23H30N2O9
SmilesCCOC(c(cc1)ccc1NC(CNC([C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12)=O)=O)=O
InChIInChI=1S/C23H30N2O9/c1-6-29-20(28)12-7-9-13(10-8-12)25-14(26)11-24-19(27)17-15-16(32-22(2,3)31-15)18-21(30-17)34-23(4,5)33-18/h7-10,15-18,21H,6,11H2,1-5H3,(H,24,27)(H,25,26)/t15-,16-,17-,18+,21-/m1/s1
InChIKFXUYFTSKCDUEBN-DKLJTFSYSA-N
TotalMolweight478.496
Molweight478.496
MonoisotopicMass478.195133
CLogP0.425
CLogS-3.378
H Acceptors11
H Donors2
TotalSurfaceArea341.07
Relative PSA0.35782
PolarSurfaceArea130.65
Druglikeness-2.3816
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55882
Fragments1
Non HAtoms34
NonCHAtoms11
Electronegative Atoms11
StereoCenters5
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms20
Symmetricatoms4
Amides2
StereoConthis enantiomer

Request More Details | ethyl 4-[[2-[[(1S,2R,6R,8R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]acetyl]amino]benzoate


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