Text Search
Structure Search

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

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

Formula: C17H10Br2N2O3S

SMILES: COC1=CC(C=C2/SC3=NC4=CC=CC=C4N3C2=O)=C(Br)C(Br)=C1O

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

InChI: InChI=1S/C17H10Br2N2O3S/c1-24-11-6-8(13(18)14(19)15(11)22)7-12-16(23)21-10-5-3-2-4-9(10)20-17(21)25-12/h2-7,22H,1H3/b12-7-

Composition: C (42.35%), H (2.09%), Br (33.15%), N (5.81%), O (9.95%), S (6.65%)

Molar Mass: 482.15

Atom Count: 35

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 479.877889
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey JAELZFCHZHJWLH-GHXNOFRVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.43
Topological Polar Surface Area 64.35
Polarizability 40.72
Ring Count 4
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H10Br2N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote