Text Search
Structure Search

9-acetyl-10-(2H-1,3-benzodioxol-5-yl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

9-acetyl-10-(2H-1,3-benzodioxol-5-yl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

Formula: C24H24N2O4

SMILES: CC(=O)N1C(C2=CC=C3OCOC3=C2)C2=C(CC(C)(C)CC2=O)NC2=C1C=CC=C2

IUPAC: 9-acetyl-10-(2H-1,3-benzodioxol-5-yl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

InChI: InChI=1/C24H24N2O4/c1-14(27)26-18-7-5-4-6-16(18)25-17-11-24(2,3)12-19(28)22(17)23(26)15-8-9-20-21(10-15)30-13-29-20/h4-10,23,25H,11-13H2,1-3H3

Composition: C (71.27%), H (5.98%), N (6.93%), O (15.82%)

Molar Mass: 404.466

Atom Count: 54

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 404.173607261
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey ICHJCXINUHPOBX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.3
Topological Polar Surface Area 67.87
Polarizability 43.35
Ring Count 5
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H24N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote