Menu

(8S)-6-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Formula:C21H16N4O2ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (8S)-6-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is a drug-like molecule.
MolName(8S)-6-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
MolecularFormulaC21H16N4O2ClF
SmilesO=C(CN1/N=C\c(c(F)ccc2)c2Cl)N(Cc2c(C3)c(cccc4)c4[nH]2)[C@@H]3C1=O
InChIInChI=1S/C21H16ClFN4O2/c22-15-5-3-6-16(23)14(15)9-24-27-11-20(28)26-10-18-13(8-19(26)21(27)29)12-4-1-2-7-17(12)25-18/h1-7,9,19,25H,8,10-11H2/t19-/m0/s1
InChIKQXKVJIYGCXRHBQ-IBGZPJMESA-N
TotalMolweight410.835
Molweight410.835
MonoisotopicMass410.094581
CLogP2.5213
CLogS-4.646
H Acceptors6
H Donors1
TotalSurfaceArea286.6
Relative PSA0.20475
PolarSurfaceArea68.77
Druglikeness6.1946
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51724
Fragments1
Non HAtoms29
NonCHAtoms8
Electronegative Atoms8
StereoCenters1
Rotatable Bond2
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms4
Amides1
Aromatic Nitrogens1
StereoConthis enantiomer

Request More Details | (8S)-6-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione


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