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

Formula:C30H19N3O3ClF3S Mutagenic:low Tumorigenic:high Reproductive Effective:none (5'Z)-2-(4-chlorophenyl)-5'-[[5-[3-(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-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC30H19N3O3ClF3S
SmilesO=C(NC1(N(C2C3)N=C3c(cc3)ccc3Cl)Oc3c2cccc3)S/C1=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChIInChI=1S/C30H19ClF3N3O3S/c31-20-10-8-17(9-11-20)23-16-24-22-6-1-2-7-26(22)40-30(37(24)36-23)27(41-28(38)35-30)15-21-12-13-25(39-21)18-4-3-5-19(14-18)29(32,33)34/h1-15,24H,16H2,(H,35,38)
InChIKMCDPVLUGNSDIBN-UHFFFAOYSA-N
TotalMolweight594.012
Molweight594.012
MonoisotopicMass593.078773
CLogP8.2666
CLogS-9.17
H Acceptors6
H Donors1
TotalSurfaceArea397.96
Relative PSA0.20394
PolarSurfaceArea92.37
Druglikeness-1.6645
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.46341
Fragments1
Non HAtoms41
NonCHAtoms11
Electronegative Atoms11
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms7
Symmetricatoms4
Amides1
StereoConunknown chirality

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