Text Search
Structure Search

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

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

Formula: C25H26N2O4

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

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

InChI: InChI=1/C25H26N2O4/c1-4-22(29)27-18-8-6-5-7-16(18)26-17-12-25(2,3)13-19(28)23(17)24(27)15-9-10-20-21(11-15)31-14-30-20/h5-11,24,26H,4,12-14H2,1-3H3

Composition: C (71.75%), H (6.26%), N (6.69%), O (15.29%)

Molar Mass: 418.493

Atom Count: 57

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 418.189257325
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey PZMXVSPOZWGCKF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.93
Topological Polar Surface Area 67.87
Polarizability 45.19
Ring Count 5
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H26N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote