[(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]urea

Formula:C15H16N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]urea is a drug-like molecule.

MolName	[(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]urea
MolecularFormula	C15H16N4O2S
Smiles	NC(N/N=C\C(CCCC1)=C1Sc1nc(cccc2)c2o1)=O
InChI	InChI=1S/C15H16N4O2S/c16-14(20)19-17-9-10-5-1-4-8-13(10)22-15-18-11-6-2-3-7-12(11)21-15/h2-3,6-7,9H,1,4-5,8H2,(H3,16,19,20)
InChIK	SXGBAXBOSDETQB-UHFFFAOYSA-N
TotalMolweight	316.384
Molweight	316.384
MonoisotopicMass	316.099396
CLogP	2.7207
CLogS	-5.244
H Acceptors	6
H Donors	2
TotalSurfaceArea	240.75
Relative PSA	0.38982
PolarSurfaceArea	118.81
Druglikeness	0.36555
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - [(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]urea | 2 - [(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]urea

Request More Details | [(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]urea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments