Text Search
Structure Search

2-ethoxy-4-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl thiophene-2-carboxylate

2-ethoxy-4-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl thiophene-2-carboxylate

Formula: C24H24N2O4S2

SMILES: CCOC1=CC(=CC=C1OC(=O)C1=CC=CS1)C1NC2=C(C3=C(CC(C)CC3)S2)C(=O)N1

IUPAC: 2-ethoxy-4-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl thiophene-2-carboxylate

InChI: InChI=1/C24H24N2O4S2/c1-3-29-17-12-14(7-9-16(17)30-24(28)18-5-4-10-31-18)21-25-22(27)20-15-8-6-13(2)11-19(15)32-23(20)26-21/h4-5,7,9-10,12-13,21,26H,3,6,8,11H2,1-2H3,(H,25,27)

Composition: C (61.52%), H (5.16%), N (5.98%), O (13.66%), S (13.68%)

Molar Mass: 468.59

Atom Count: 56

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 468.117749609
Formal Charge 0
FSP3 0.33
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IMMOFYMKWTUCHK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 125.75
Topological Polar Surface Area 76.66
Polarizability 47.22
Ring Count 5
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H24N2O4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote