Text Search
Structure Search

14-(2H-1,3-benzodioxol-5-yl)-10-(5-methylthiophen-2-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

14-(2H-1,3-benzodioxol-5-yl)-10-(5-methylthiophen-2-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C25H22N2O3S

SMILES: CC1=CC=C(S1)C1NC2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=C2OCOC2=C1

IUPAC: 14-(2H-1,3-benzodioxol-5-yl)-10-(5-methylthiophen-2-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C25H22N2O3S/c1-14-6-9-23(31-14)25-24-19(26-17-4-2-3-5-18(17)27-25)10-16(11-20(24)28)15-7-8-21-22(12-15)30-13-29-21/h2-9,12,16,25-27H,10-11,13H2,1H3

Composition: C (69.75%), H (5.15%), N (6.51%), O (11.15%), S (7.45%)

Molar Mass: 430.52

Atom Count: 53

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 430.13511375
Formal Charge 0
FSP3 0.24
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey HTMLOCJJKALHQD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.08
Topological Polar Surface Area 59.59
Polarizability 45.93
Ring Count 6
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H22N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote