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Bavisant

CAT: 0926-EMB62208-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-EMB62208-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
929622-08-2
MDL Number
MFCD19443732
Smiles
C1CC1N2CCN (CC2) C (=O) C3=CC=C (C=C3) CN4CCOCC4
Molecular Formula
C19H27N3O2
Molecular Weight
329.4 g/mol
Controlled
No

Chemical Information

Bavisant

Bavisant has been used in trials studying the basic science and treatment of Alcoholism, Pharmacokinetics, Drug Interactions, Attention Deficit Hyperactivity Disorder, and Attention Deficit Disorders With Hyperactivity.

CAS Number929622-08-2
PubChem CID16061509
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
Molecular FormulaC19H27N3O2
Molecular Weight329.4
XLogP1.2
Topological Polar Surface Area36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity418
SMILES
C1CC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCOCC4
InChI
InChI=1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2
InChIKey
BGBVSGSIXIIREO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bavisant
CAS: 929622-08-2
CID: 16061509
Formula: C19H27N3O2
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass329.21032711
Monoisotopic Mass329.21032711
Topological Polar Surface Area36 Ų
Heavy Atom Count24
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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