(4E)-10-bromo-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

(4E)-10-bromo-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

Formula: C16H10BrN3O3S

SMILES: COC1=CC(C=C2SC3=NC4=CC(Br)=CN=C4N3C2=O)=CC=C1O

IUPAC: (4E)-10-bromo-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

InChI: InChI=1S/C16H10BrN3O3S/c1-23-12-4-8(2-3-11(12)21)5-13-15(22)20-14-10(19-16(20)24-13)6-9(17)7-18-14/h2-7,21H,1H3/b13-5+

Composition: C (47.54%), H (2.49%), Br (19.77%), N (10.40%), O (11.87%), S (7.93%)

Molar Mass: 404.24

Atom Count: 34

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	402.962625
Formal Charge	0
FSP3	0.06
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	UNTXBWZKKSPORH-WLRTZDKTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.6
Topological Polar Surface Area	77.24
Polarizability	36.33
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H10BrN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00