(5E)-5-({4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

(5E)-5-({4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C21H19ClN2O4S

SMILES: CCOC1=CC(C=C2/C(=O)NC(=S)N(C)C2=O)=CC=C1OCC1=CC=CC=C1Cl

IUPAC: (5E)-5-({4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C21H19ClN2O4S/c1-3-27-18-11-13(10-15-19(25)23-21(29)24(2)20(15)26)8-9-17(18)28-12-14-6-4-5-7-16(14)22/h4-11H,3,12H2,1-2H3,(H,23,25,29)/b15-10+

Composition: C (58.54%), H (4.44%), Cl (8.23%), N (6.50%), O (14.85%), S (7.44%)

Molar Mass: 430.9

Atom Count: 48

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	430.075406
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WBPOVCBKHUNFIL-XNTDXEJSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.1
Topological Polar Surface Area	67.87
Polarizability	44.61
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H19ClN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00