Text Search
Structure Search

11-ethyl-5-[(1Z)-2-phenylethenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-ethyl-5-[(1Z)-2-phenylethenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C19H21N3OS

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C=C/C1=CC=CC=C1

IUPAC: 11-ethyl-5-[(1Z)-2-phenylethenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C19H21N3OS/c1-2-22-11-10-14-15(12-22)24-19-17(14)18(23)20-16(21-19)9-8-13-6-4-3-5-7-13/h3-9,16,21H,2,10-12H2,1H3,(H,20,23)/b9-8-

Composition: C (67.23%), H (6.24%), N (12.38%), O (4.71%), S (9.44%)

Molar Mass: 339.46

Atom Count: 45

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 339.140533482
Formal Charge 0
FSP3 0.32
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RPLDBQYEBPYTEM-HJWRWDBZNA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.58
Topological Polar Surface Area 44.37
Polarizability 37.02
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 C19H21N3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote