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(5'Z)-9-bromo-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:C40H27N5O2BrClS Mutagenic:high Tumorigenic:low Reproductive Effective:none (5'Z)-9-bromo-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)-9-bromo-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
MolecularFormulaC40H27N5O2BrClS
SmilesO=C(NC1(N(C2C3)N=C3c(cc3)ccc3Cl)Oc(cc3)c2cc3Br)S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChIInChI=1S/C40H27BrClN5O2S/c41-29-15-20-37-32(22-29)36-24-34(27-13-16-30(42)17-14-27)45-47(36)40(49-37)38(50-39(48)43-40)21-25-11-18-31(19-12-25)46-35(28-9-5-2-6-10-28)23-33(44-46)26-7-3-1-4-8-26/h1-23,36H,24H2,(H,43,48)
InChIKYVUVTEAICNMKTR-UHFFFAOYSA-N
TotalMolweight757.11
Molweight757.11
MonoisotopicMass755.075733
CLogP9.8738
CLogS-11.057
H Acceptors7
H Donors1
TotalSurfaceArea504.92
Relative PSA0.16813
PolarSurfaceArea97.05
Druglikeness3.1366
Mutagenichigh
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44
Fragments1
Non HAtoms50
NonCHAtoms10
Electronegative Atoms10
StereoCenters2
Rotatable Bond5
Rings Closures9
Small Rings9
Aromatic Rings6
Aromatic Atoms35
Sp3Atoms6
Symmetricatoms8
Amides1
Aromatic Nitrogens2
StereoConunknown chirality

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