(5E)-1-(4-bromophenyl)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

(5E)-1-(4-bromophenyl)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C19H16BrN3O4S

SMILES: BrC1=CC=C(C=C1)N1C(=S)NC(=O)C(=C/C2=CC=C(O2)N2CCOCC2)C1=O

IUPAC: (5E)-1-(4-bromophenyl)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C19H16BrN3O4S/c20-12-1-3-13(4-2-12)23-18(25)15(17(24)21-19(23)28)11-14-5-6-16(27-14)22-7-9-26-10-8-22/h1-6,11H,7-10H2,(H,21,24,28)/b15-11+

Composition: C (49.36%), H (3.49%), Br (17.28%), N (9.09%), O (13.84%), S (6.93%)

Molar Mass: 462.32

Atom Count: 44

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	461.00449
Formal Charge	0
FSP3	0.21
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DNZDKMDEVPIXMB-RVDMUPIBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.56
Topological Polar Surface Area	75.02
Polarizability	42.19
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H16BrN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00