4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide

Formula:C30H23N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide is not a drug-like molecule.

MolName	4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide
MolecularFormula	C30H23N3O2S2
Smiles	O=C(c1ccc(CSc2nc(cccc3)c3s2)cc1)N/N=C(/C1)\c(cccc2)c2OC1c1ccccc1
InChI	InChI=1S/C30H23N3O2S2/c34-29(22-16-14-20(15-17-22)19-36-30-31-24-11-5-7-13-28(24)37-30)33-32-25-18-27(21-8-2-1-3-9-21)35-26-12-6-4-10-23(25)26/h1-17,27H,18-19H2,(H,33,34)/t27-/m1/s1
InChIK	BPJVNEIDZFSTHE-HHHXNRCGSA-N
TotalMolweight	521.664
Molweight	521.664
MonoisotopicMass	521.123167
CLogP	7.2648
CLogS	-8.574
H Acceptors	5
H Donors	1
TotalSurfaceArea	388.03
Relative PSA	0.24439
PolarSurfaceArea	117.12
Druglikeness	3.9035
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon	racemate

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1 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide | 2 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide

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