N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide

Formula:C19H17N5O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
MolecularFormula	C19H17N5O3S2
Smiles	O=C(C(NC(N1)=O)=CC1=O)N/N=C\C(CCCC1)=C1Sc1nc(cccc2)c2s1
InChI	InChI=1S/C19H17N5O3S2/c25-16-9-13(21-18(27)23-16)17(26)24-20-10-11-5-1-3-7-14(11)28-19-22-12-6-2-4-8-15(12)29-19/h2,4,6,8-10H,1,3,5,7H2,(H,24,26)(H2,21,23,25,27)
InChIK	JDNICNKRKZIYGN-UHFFFAOYSA-N
TotalMolweight	427.508
Molweight	427.508
MonoisotopicMass	427.07728
CLogP	2.2419
CLogS	-5.727
H Acceptors	8
H Donors	3
TotalSurfaceArea	308.11
Relative PSA	0.43436
PolarSurfaceArea	166.09
Druglikeness	0.85309
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	5
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide | 2 - N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide

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