(E)-N-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Formula:C23H23N5O4S4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
MolecularFormula	C23H23N5O4S4
Smiles	O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)NC(Nc1nnc(SCc2ccccc2)s1)=S
InChI	InChI=1S/C23H23N5O4S4/c29-20(11-8-17-6-9-19(10-7-17)36(30,31)28-12-14-32-15-13-28)24-21(33)25-22-26-27-23(35-22)34-16-18-4-2-1-3-5-18/h1-11H,12-16H2,(H2,24,25,26,29,33)
InChIK	UTERAZVGAVEJIA-UHFFFAOYSA-N
TotalMolweight	561.731
Molweight	561.731
MonoisotopicMass	561.063285
CLogP	3.6606
CLogS	-5.457
H Acceptors	9
H Donors	2
TotalSurfaceArea	407.79
Relative PSA	0.40678
PolarSurfaceArea	207.53
Druglikeness	-0.13642
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	36
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	9
Symmetricatoms	7
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - (E)-N-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide | 2 - (E)-N-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

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