6-[2-(2-phenylethylimino)-3-[(Z)-quinolin-6-ylmethylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Formula:C29H23N5O2S Mutagenic:high Tumorigenic:none Reproductive Effective:none 6-[2-(2-phenylethylimino)-3-[(Z)-quinolin-6-ylmethylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one is not a drug-like molecule.

MolName	6-[2-(2-phenylethylimino)-3-[(Z)-quinolin-6-ylmethylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
MolecularFormula	C29H23N5O2S
Smiles	O=C1Nc(cc(cc2)C(N3/N=C\c4cc5cccnc5cc4)=CS/C3=N\CCc3ccccc3)c2OC1
InChI	InChI=1S/C29H23N5O2S/c35-28-18-36-27-11-9-23(16-25(27)33-28)26-19-37-29(31-14-12-20-5-2-1-3-6-20)34(26)32-17-21-8-10-24-22(15-21)7-4-13-30-24/h1-11,13,15-17,19H,12,14,18H2,(H,33,35)
InChIK	DYUQWIOWTBTNEJ-UHFFFAOYSA-N
TotalMolweight	505.601
Molweight	505.601
MonoisotopicMass	505.157245
CLogP	5.0765
CLogS	-6.819
H Acceptors	7
H Donors	1
TotalSurfaceArea	379.86
Relative PSA	0.23569
PolarSurfaceArea	104.48
Druglikeness	5.2903
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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