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(S) -Baxdrostat

CAT: 0013-GTR19187181-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187181-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) -Baxdrostat
CAS Number
1428652-16-7
Field of Research
Metabolism Research
Smiles
CCC (=O) N[C@H]1CCCc2c1cncc2-c1ccc2N (C) C (=O) CCc2c1
Molecular Formula
C22H25N3O2
Molecular Weight
363.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-Baxdrostat
CAS Number1428652-16-7
PubChem CID71535963
IUPAC NameN-[(8S)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
Molecular FormulaC22H25N3O2
Molecular Weight363.5
XLogP2.2
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity566
SMILES
CCC(=O)N[C@H]1CCCC2=C1C=NC=C2C3=CC4=C(C=C3)N(C(=O)CC4)C
InChI
InChI=1S/C22H25N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h7,9,11-13,19H,3-6,8,10H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKey
VDEUDSRUMNAXJG-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of (S)-Baxdrostat
CAS: 1428652-16-7
CID: 71535963
Formula: C22H25N3O2
MW: 363.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass363.19467705
Monoisotopic Mass363.19467705
Topological Polar Surface Area62.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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