3-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol

Formula:C17H16N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol is not a drug-like molecule.

MolName	3-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol
MolecularFormula	C17H16N4OS
Smiles	Oc1cccc(/C=N\Nc2c(c(CCCC3)c3s3)c3ncn2)c1
InChI	InChI=1S/C17H16N4OS/c22-12-5-3-4-11(8-12)9-20-21-16-15-13-6-1-2-7-14(13)23-17(15)19-10-18-16/h3-5,8-10,22H,1-2,6-7H2,(H,18,19,21)
InChIK	QUEGIWVIZDVOPL-UHFFFAOYSA-N
TotalMolweight	324.407
Molweight	324.407
MonoisotopicMass	324.104481
CLogP	5.5578
CLogS	-5.542
H Acceptors	5
H Donors	2
TotalSurfaceArea	245.19
Relative PSA	0.31963
PolarSurfaceArea	98.64
Druglikeness	-1.4453
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 3-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol | 2 - 3-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol

Request More Details | 3-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments