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

Formula:C30H18N3O3Cl2F3S Mutagenic:low Tumorigenic:high Reproductive Effective:none (5'Z)-2-(4-chlorophenyl)-5'-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]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'-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC30H18N3O3Cl2F3S
SmilesO=C(NC1(N(C2C3)N=C3c(cc3)ccc3Cl)Oc3c2cccc3)S/C1=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChIInChI=1S/C30H18Cl2F3N3O3S/c31-18-8-5-16(6-9-18)23-15-24-20-3-1-2-4-26(20)41-30(38(24)37-23)27(42-28(39)36-30)14-19-10-12-25(40-19)21-13-17(29(33,34)35)7-11-22(21)32/h1-14,24H,15H2,(H,36,39)
InChIKMSWSXLJFIOTTGU-UHFFFAOYSA-N
TotalMolweight628.457
Molweight628.457
MonoisotopicMass627.0398
CLogP8.8726
CLogS-9.906
H Acceptors6
H Donors1
TotalSurfaceArea413.38
Relative PSA0.19633
PolarSurfaceArea92.37
Druglikeness-1.6645
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.45238
Fragments1
Non HAtoms42
NonCHAtoms12
Electronegative Atoms12
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms7
Symmetricatoms4
Amides1
StereoConunknown chirality

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