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BMS-187308

CAT: 0013-GTR19195367-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195367-02Size:50 mg
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Description
BMS-187308
CAS Number
153624-15-8
Smiles
S (NC1=C (C) C (C) =NO1) (=O) (=O) C2=C (C=CC=C2) C3=C (N) C=C (CC (C) C) C=C3
Molecular Formula
C21H25N3O3S
Molecular Weight
399.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms-187308

structure in first source

CAS Number153624-15-8
PubChem CID9908909
IUPAC Name2-[2-amino-4-(2-methylpropyl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Molecular FormulaC21H25N3O3S
Molecular Weight399.5
XLogP4.5
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity607
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=C(C=C(C=C3)CC(C)C)N
InChI
InChI=1S/C21H25N3O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3
InChIKey
OZDIAVKCLFSBME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-187308
CAS: 153624-15-8
CID: 9908909
Formula: C21H25N3O3S
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.5
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass399.16166284
Monoisotopic Mass399.16166284
Topological Polar Surface Area107 Ų
Heavy Atom Count28
Formal Charge0
Complexity607
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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