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YW3-56 100mg

CAT: 0628-A20134-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A20134-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1374311-17-7

Chemical Information

YW3-56 hydrochloride
CAS Number1374311-17-7
PubChem CID56970298
IUPAC NameN-[(2S)-5-[(1-amino-2-chloroethylidene)amino]-1-(benzylamino)-1-oxopentan-2-yl]-6-(dimethylamino)naphthalene-2-carboxamide
Molecular FormulaC27H32ClN5O2
Molecular Weight494.0
XLogP3.8
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity710
SMILES
CN(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)N[C@@H](CCCN=C(CCl)N)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C27H32ClN5O2/c1-33(2)23-13-12-20-15-22(11-10-21(20)16-23)26(34)32-24(9-6-14-30-25(29)17-28)27(35)31-18-19-7-4-3-5-8-19/h3-5,7-8,10-13,15-16,24H,6,9,14,17-18H2,1-2H3,(H2,29,30)(H,31,35)(H,32,34)/t24-/m0/s1
InChIKey
LJJCYRVBDASIDX-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of YW3-56 hydrochloride
CAS: 1374311-17-7
CID: 56970298
Formula: C27H32ClN5O2
MW: 494.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.0
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass493.2244530
Monoisotopic Mass493.2244530
Topological Polar Surface Area99.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity710
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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