Text Search
Structure Search

5-(4-hydroxy-3-iodophenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(4-hydroxy-3-iodophenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C17H17IN2O2S

SMILES: CC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(O)C(I)=C1

IUPAC: 5-(4-hydroxy-3-iodophenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C17H17IN2O2S/c1-8-2-4-10-13(6-8)23-17-14(10)16(22)19-15(20-17)9-3-5-12(21)11(18)7-9/h3,5,7-8,15,20-21H,2,4,6H2,1H3,(H,19,22)

Composition: C (46.37%), H (3.89%), I (28.82%), N (6.36%), O (7.27%), S (7.28%)

Molar Mass: 440.3

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 440.00554
Formal Charge 0
FSP3 0.35
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey POGOJDTWZSTBKT-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 101.19
Topological Polar Surface Area 61.36
Polarizability 37.79
Ring Count 4
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H17IN2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote