Menu

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

Formula:C40H28N5O2ClS Mutagenic:high Tumorigenic:low Reproductive Effective:none (5'Z)-2-(4-chlorophenyl)-5'-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]spiro[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)-2-(4-chlorophenyl)-5'-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC40H28N5O2ClS
SmilesO=C(NC1(N(C2C3)N=C3c(cc3)ccc3Cl)Oc3c2cccc3)S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChIInChI=1S/C40H28ClN5O2S/c41-30-19-17-28(18-20-30)34-25-36-32-13-7-8-14-37(32)48-40(46(36)44-34)38(49-39(47)42-40)23-26-15-21-31(22-16-26)45-35(29-11-5-2-6-12-29)24-33(43-45)27-9-3-1-4-10-27/h1-24,36H,25H2,(H,42,47)
InChIKXYQAYWQDCPSHFX-UHFFFAOYSA-N
TotalMolweight678.214
Molweight678.214
MonoisotopicMass677.165222
CLogP9.1486
CLogS-10.223
H Acceptors7
H Donors1
TotalSurfaceArea486.29
Relative PSA0.17457
PolarSurfaceArea97.05
Druglikeness4.9266
Mutagenichigh
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44898
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)-2-(4-chlorophenyl)-5'-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]spiro[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