(5'Z)-5'-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one

Formula:C29H19N3O3Cl2S Mutagenic:low Tumorigenic:high Reproductive Effective:none (5'Z)-5'-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-phenylspiro[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)-5'-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormula	C29H19N3O3Cl2S
Smiles	O=C(NC1(N(C2C3)N=C3c3ccccc3)Oc3c2cccc3)S/C1=C\c1ccc(-c(c(Cl)ccc2)c2Cl)o1
InChI	InChI=1S/C29H19Cl2N3O3S/c30-20-10-6-11-21(31)27(20)25-14-13-18(36-25)15-26-29(32-28(35)38-26)34-23(19-9-4-5-12-24(19)37-29)16-22(33-34)17-7-2-1-3-8-17/h1-15,23H,16H2,(H,32,35)
InChIK	LXGMCQWYGXRMLN-UHFFFAOYSA-N
TotalMolweight	560.46
Molweight	560.46
MonoisotopicMass	559.052416
CLogP	8.0243
CLogS	-9.128
H Acceptors	6
H Donors	1
TotalSurfaceArea	383.92
Relative PSA	0.2114
PolarSurfaceArea	92.37
Druglikeness	5.5255
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	2
Rotatable Bond	3
Rings Closures	7
Small Rings	7
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	5
Amides	1
StereoCon	unknown chirality

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1 - (5'Z)-5'-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one | 2 - (5'Z)-5'-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one

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