6-[2-(4-fluorophenyl)imino-3-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Formula:C30H21N4O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[2-(4-fluorophenyl)imino-3-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one is not a drug-like molecule.

MolName	6-[2-(4-fluorophenyl)imino-3-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
MolecularFormula	C30H21N4O3FS
Smiles	O=C1Nc(cc(cc2)C(N3/N=C\c4cc(Oc5ccccc5)ccc4)=CS/C3=N\c(cc3)ccc3F)c2OC1
InChI	InChI=1S/C30H21FN4O3S/c31-22-10-12-23(13-11-22)33-30-35(27(19-39-30)21-9-14-28-26(16-21)34-29(36)18-37-28)32-17-20-5-4-8-25(15-20)38-24-6-2-1-3-7-24/h1-17,19H,18H2,(H,34,36)
InChIK	KMMWMFVPCXTSCA-UHFFFAOYSA-N
TotalMolweight	536.586
Molweight	536.586
MonoisotopicMass	536.131839
CLogP	5.7228
CLogS	-8.451
H Acceptors	7
H Donors	1
TotalSurfaceArea	395.09
Relative PSA	0.22415
PolarSurfaceArea	100.82
Druglikeness	3.2446
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	4
Amides	1
StereoCon

Click to Load Molecule:

1 - 6-[2-(4-fluorophenyl)imino-3-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one | 2 - 6-[2-(4-fluorophenyl)imino-3-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Request More Details | 6-[2-(4-fluorophenyl)imino-3-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments