(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione

(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C22H22N2O4S

SMILES: CCCN1C(=S)N(C(=O)C(=CC2=CC=C(OC)C(OC)=C2)C1=O)C1=CC=CC=C1

IUPAC: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C22H22N2O4S/c1-4-12-23-20(25)17(13-15-10-11-18(27-2)19(14-15)28-3)21(26)24(22(23)29)16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3/b17-13+

Composition: C (64.37%), H (5.40%), N (6.82%), O (15.59%), S (7.81%)

Molar Mass: 410.49

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	410.13002837
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GRIAGFHAJQSJQC-GHRIWEEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.88
Topological Polar Surface Area	59.08
Polarizability	44.56
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00