(E)-3-(furan-2-yl)-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-benzothiazol-6-yl]prop-2-enamide

Formula:C21H15N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-benzothiazol-6-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-benzothiazol-6-yl]prop-2-enamide
MolecularFormula	C21H15N3O4S
Smiles	O=C(/C=C/c1ccco1)Nc1nc(ccc(NC(/C=C/c2ccco2)=O)c2)c2s1
InChI	InChI=1S/C21H15N3O4S/c25-19(9-6-15-3-1-11-27-15)22-14-5-8-17-18(13-14)29-21(23-17)24-20(26)10-7-16-4-2-12-28-16/h1-13H,(H,22,25)(H,23,24,26)
InChIK	PVHJWKHDRDCDEB-UHFFFAOYSA-N
TotalMolweight	405.433
Molweight	405.433
MonoisotopicMass	405.078327
CLogP	3.7928
CLogS	-5.711
H Acceptors	7
H Donors	2
TotalSurfaceArea	312.88
Relative PSA	0.34694
PolarSurfaceArea	125.61
Druglikeness	0.34955
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-(furan-2-yl)-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-benzothiazol-6-yl]prop-2-enamide | 2 - (E)-3-(furan-2-yl)-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-benzothiazol-6-yl]prop-2-enamide

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