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

Formula:C40H30N5O2ClS Mutagenic:high Tumorigenic:low Reproductive Effective:none (5'Z)-2-(4-chlorophenyl)-5'-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-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-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC40H30N5O2ClS
SmilesO=C(NC1(N(C2C3)N=C3c(cc3)ccc3Cl)Oc3c2cccc3)S/C1=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C40H30ClN5O2S/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/h1-23,35-36H,24-25H2,(H,42,47)
InChIKYDGIIMLIXZLVHP-UHFFFAOYSA-N
TotalMolweight680.23
Molweight680.23
MonoisotopicMass679.180872
CLogP9.9418
CLogS-9.865
H Acceptors7
H Donors1
TotalSurfaceArea484.6
Relative PSA0.16944
PolarSurfaceArea94.83
Druglikeness4.7395
Mutagenichigh
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44898
Fragments1
Non HAtoms49
NonCHAtoms9
Electronegative Atoms9
StereoCenters3
Rotatable Bond5
Rings Closures9
Small Rings9
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms8
Symmetricatoms8
Amides1
StereoConunknown chirality

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