Text Search
Structure Search

5-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

5-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C27H26N2O4S2

SMILES: COC1=CC=C(C=C1OC)C(=O)CSC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1C1=CC=C(C)C=C1

IUPAC: 5-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C27H26N2O4S2/c1-16-8-11-18(12-9-16)29-26(31)24-19-6-4-5-7-23(19)35-25(24)28-27(29)34-15-20(30)17-10-13-21(32-2)22(14-17)33-3/h8-14H,4-7,15H2,1-3H3

Composition: C (64.01%), H (5.17%), N (5.53%), O (12.63%), S (12.66%)

Molar Mass: 506.64

Atom Count: 61

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 506.133399673
Formal Charge 0
FSP3 0.3
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey ZPGYWXKNDPIJRW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 141.69
Topological Polar Surface Area 68.2
Polarizability 53.15
Ring Count 5
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H26N2O4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote