1,3-diphenyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C31H21N3O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1,3-diphenyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	1,3-diphenyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C31H21N3O2S
Smiles	O=C(C(C(N1c2ccccc2)=O)=Cc2c(-c3ccccc3)[nH]c3c2cccc3)N(c2ccccc2)C1=S
InChI	InChI=1S/C31H21N3O2S/c35-29-26(20-25-24-18-10-11-19-27(24)32-28(25)21-12-4-1-5-13-21)30(36)34(23-16-8-3-9-17-23)31(37)33(29)22-14-6-2-7-15-22/h1-20,32H
InChIK	RMTCOFMWGCFOGX-UHFFFAOYSA-N
TotalMolweight	499.593
Molweight	499.593
MonoisotopicMass	499.135447
CLogP	6.0536
CLogS	-7.757
H Acceptors	5
H Donors	1
TotalSurfaceArea	376.73
Relative PSA	0.19953
PolarSurfaceArea	88.5
Druglikeness	3.0758
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.37838
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	1
Symmetricatoms	13
Amides	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - 1,3-diphenyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - 1,3-diphenyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Request More Details | 1,3-diphenyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments