Text Search
Structure Search

8-benzyl-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

8-benzyl-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

Formula: C23H26N2O4

SMILES: CC1=CC=C(C=C1)C(=O)N1C(COC11CCN(CC2=CC=CC=C2)CC1)C(O)=O

IUPAC: 8-benzyl-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

InChI: InChI=1/C23H26N2O4/c1-17-7-9-19(10-8-17)21(26)25-20(22(27)28)16-29-23(25)11-13-24(14-12-23)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,27,28)

Composition: C (70.03%), H (6.64%), N (7.10%), O (16.22%)

Molar Mass: 394.471

Atom Count: 55

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 394.189257325
Formal Charge 0
FSP3 0.39
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey ZDNPORUVXOZBDA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.29
Topological Polar Surface Area 70.08
Polarizability 42.36
Ring Count 4
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C23H26N2O4 $470.61-$705.92$470.61$705.92
Request Quote