Menu

(5'Z)-9-bromo-5'-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one

Formula:C40H28N5O2BrS Mutagenic:high Tumorigenic:low Reproductive Effective:none (5'Z)-9-bromo-5'-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one is not a drug-like molecule.
MolName(5'Z)-9-bromo-5'-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC40H28N5O2BrS
SmilesO=C(NC1(N(C2C3)N=C3c3ccccc3)Oc(cc3)c2cc3Br)S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChIInChI=1S/C40H28BrN5O2S/c41-30-18-21-37-32(23-30)36-25-34(28-12-6-2-7-13-28)44-46(36)40(48-37)38(49-39(47)42-40)22-26-16-19-31(20-17-26)45-35(29-14-8-3-9-15-29)24-33(43-45)27-10-4-1-5-11-27/h1-24,36H,25H2,(H,42,47)
InChIKZUAOBNPXWJRGRN-UHFFFAOYSA-N
TotalMolweight722.665
Molweight722.665
MonoisotopicMass721.114706
CLogP9.2678
CLogS-10.321
H Acceptors7
H Donors1
TotalSurfaceArea489.5
Relative PSA0.17342
PolarSurfaceArea97.05
Druglikeness3.0876
Mutagenichigh
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.42857
Fragments1
Non HAtoms49
NonCHAtoms9
Electronegative Atoms9
StereoCenters2
Rotatable Bond5
Rings Closures9
Small Rings9
Aromatic Rings6
Aromatic Atoms35
Sp3Atoms6
Symmetricatoms8
Amides1
Aromatic Nitrogens2
StereoConunknown chirality

Request More Details | (5'Z)-9-bromo-5'-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one


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