Menu

[(Z)-[3-[dimorpholin-4-yl-[4-(trifluoromethyl)phenyl]imino-lambda5-phosphanyl]-2-morpholin-4-ylcyclopent-2-en-1-ylidene]-phenylmethyl] benzoate

Formula:C38H42N4O5F3P Mutagenic:high Tumorigenic:none Reproductive Effective:none [(Z)-[3-[dimorpholin-4-yl-[4-(trifluoromethyl)phenyl]imino-lambda5-phosphanyl]-2-morpholin-4-ylcyclopent-2-en-1-ylidene]-phenylmethyl] benzoate is not a drug-like molecule.
MolName[(Z)-[3-[dimorpholin-4-yl-[4-(trifluoromethyl)phenyl]imino-lambda5-phosphanyl]-2-morpholin-4-ylcyclopent-2-en-1-ylidene]-phenylmethyl] benzoate
MolecularFormulaC38H42N4O5F3P
SmilesO=C(c1ccccc1)O/C(/c1ccccc1)=C(/CC1)\C(N2CCOCC2)=C1P(N1CCOCC1)(N1CCOCC1)=Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C38H42F3N4O5P/c39-38(40,41)31-11-13-32(14-12-31)42-51(44-19-25-48-26-20-44,45-21-27-49-28-22-45)34-16-15-33(35(34)43-17-23-47-24-18-43)36(29-7-3-1-4-8-29)50-37(46)30-9-5-2-6-10-30/h1-14H,15-28H2
InChIKQTYHZZRCUWOZGF-UHFFFAOYSA-N
TotalMolweight722.742
Molweight722.742
MonoisotopicMass722.284492
CLogP5.7652
CLogS-6.85
H Acceptors9
TotalSurfaceArea524.36
Relative PSA0.151
PolarSurfaceArea85.88
Druglikeness-16.14
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.35294
Fragments1
Non HAtoms51
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond8
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms20
Symmetricatoms18
StereoCon

Request More Details | [(Z)-[3-[dimorpholin-4-yl-[4-(trifluoromethyl)phenyl]imino-lambda5-phosphanyl]-2-morpholin-4-ylcyclopent-2-en-1-ylidene]-phenylmethyl] benzoate


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