(1E,6E)-4-(1,3-dithiepan-2-ylidene)-1,7-diphenylhepta-1,6-diene-3,5-dione

Formula:C24H22O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,6E)-4-(1,3-dithiepan-2-ylidene)-1,7-diphenylhepta-1,6-diene-3,5-dione is not a drug-like molecule.

MolName	(1E,6E)-4-(1,3-dithiepan-2-ylidene)-1,7-diphenylhepta-1,6-diene-3,5-dione
MolecularFormula	C24H22O2S2
Smiles	O=C(/C=C/c1ccccc1)C(C(/C=C/c1ccccc1)=O)=C1SCCCCS1
InChI	InChI=1S/C24H22O2S2/c25-21(15-13-19-9-3-1-4-10-19)23(24-27-17-7-8-18-28-24)22(26)16-14-20-11-5-2-6-12-20/h1-6,9-16H,7-8,17-18H2
InChIK	CDBZHJMXTOGQNX-UHFFFAOYSA-N
TotalMolweight	406.569
Molweight	406.569
MonoisotopicMass	406.10612
CLogP	6.2112
CLogS	-5.779
H Acceptors	2
TotalSurfaceArea	320.96
Relative PSA	0.19024
PolarSurfaceArea	84.74
Druglikeness	0.41378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	15
StereoCon

Click to Load Molecule:

1 - (1E,6E)-4-(1,3-dithiepan-2-ylidene)-1,7-diphenylhepta-1,6-diene-3,5-dione | 2 - (1E,6E)-4-(1,3-dithiepan-2-ylidene)-1,7-diphenylhepta-1,6-diene-3,5-dione

Request More Details | (1E,6E)-4-(1,3-dithiepan-2-ylidene)-1,7-diphenylhepta-1,6-diene-3,5-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments