Text Search
Structure Search

(4Z)-4-[(2-bromo-3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

(4Z)-4-[(2-bromo-3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

Formula: C18H12BrClN2O3S

SMILES: CCOC1=CC(C=C2/SC3=NC4=CC=CC=C4N3C2=O)=C(Br)C(Cl)=C1O

IUPAC: (4Z)-4-[(2-bromo-3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

InChI: InChI=1S/C18H12BrClN2O3S/c1-2-25-12-7-9(14(19)15(20)16(12)23)8-13-17(24)22-11-6-4-3-5-10(11)21-18(22)26-13/h3-8,23H,2H2,1H3/b13-8-

Composition: C (47.86%), H (2.68%), Br (17.69%), Cl (7.85%), N (6.20%), O (10.63%), S (7.10%)

Molar Mass: 451.72

Atom Count: 38

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 449.944054
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ACUXPGYLFDWKKR-JYRVWZFOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.36
Topological Polar Surface Area 64.35
Polarizability 41.59
Ring Count 4
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H12BrClN2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote