(6Z)-6-[[4-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Formula:C33H31N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[4-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

MolName	(6Z)-6-[[4-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C33H31N3O3S
Smiles	N=C(/C1=C/c(cc2)ccc2OCCOc2ccc(C3CCCCC3)cc2)N(C(c2ccccc2)=CS2)C2=NC1=O
InChI	InChI=1S/C33H31N3O3S/c34-31-29(32(37)35-33-36(31)30(22-40-33)26-9-5-2-6-10-26)21-23-11-15-27(16-12-23)38-19-20-39-28-17-13-25(14-18-28)24-7-3-1-4-8-24/h2,5-6,9-18,21-22,24,34H,1,3-4,7-8,19-20H2
InChIK	PJUKDVCXTPZZQR-UHFFFAOYSA-N
TotalMolweight	549.693
Molweight	549.693
MonoisotopicMass	549.208612
CLogP	6.2958
CLogS	-6.504
H Acceptors	6
H Donors	1
TotalSurfaceArea	419.34
Relative PSA	0.19361
PolarSurfaceArea	100.28
Druglikeness	-8.5717
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.625
Fragments	1
Non HAtoms	40
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	8
BasicNitrogens	1
StereoCon

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