C21H15N3O3ClF | Cheminformatics
Menu

(1R,11R,12R,16S)-14-(3-chloro-4-fluorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide

Formula:C21H15N3O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (1R,11R,12R,16S)-14-(3-chloro-4-fluorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide is a drug-like molecule.
MolName(1R,11R,12R,16S)-14-(3-chloro-4-fluorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
MolecularFormulaC21H15N3O3ClF
SmilesNC([C@@H]([C@@H]([C@@H]([C@@H]12)C(N3c(cc4)cc(Cl)c4F)=O)C3=O)N1C=Cc1c2cccc1)=O
InChIInChI=1S/C21H15ClFN3O3/c22-13-9-11(5-6-14(13)23)26-20(28)15-16(21(26)29)18(19(24)27)25-8-7-10-3-1-2-4-12(10)17(15)25/h1-9,15-18H,(H2,24,27)/t15-,16+,17+,18+/m1/s1
InChIKVMBKIMCBAZTGFJ-OWSLCNJRSA-N
TotalMolweight411.819
Molweight411.819
MonoisotopicMass411.078597
CLogP1.5147
CLogS-4.6
H Acceptors6
H Donors1
TotalSurfaceArea273.16
Relative PSA0.22511
PolarSurfaceArea83.71
Druglikeness2.8619
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44828
Fragments1
Non HAtoms29
NonCHAtoms8
Electronegative Atoms8
StereoCenters4
Rotatable Bond2
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Amides2
BasicNitrogens1
StereoConthis enantiomer

Request More Details | (1R,11R,12R,16S)-14-(3-chloro-4-fluorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide


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