Text Search
Structure Search

5-{3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

5-{3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

Formula: C27H28N2O5S

SMILES: COC1=CC=CC=C1OCCOC1=CC=C(C=C1OC)C1=NC(=O)C2=C(N1)SC1=C2CCC(C)C1

IUPAC: 5-{3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

InChI: InChI=1/C27H28N2O5S/c1-16-8-10-18-23(14-16)35-27-24(18)26(30)28-25(29-27)17-9-11-21(22(15-17)32-3)34-13-12-33-20-7-5-4-6-19(20)31-2/h4-7,9,11,15-16H,8,10,12-14H2,1-3H3,(H,28,29,30)

Composition: C (65.84%), H (5.73%), N (5.69%), O (16.24%), S (6.51%)

Molar Mass: 492.59

Atom Count: 63

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 492.171893184
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey SCLYIVFMWVODLA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 135.8
Topological Polar Surface Area 78.38
Polarizability 51.45
Ring Count 5
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H28N2O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote