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Antibacterial compound 2 5mg

CAT: 0628-A19573-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19573-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
170104-58-2

Chemical Information

[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] 2-(dimethylamino)acetate
CAS Number170104-58-2
PubChem CID486245
IUPAC Name[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] 2-(dimethylamino)acetate
Molecular FormulaC22H30FN5O6
Molecular Weight479.5
XLogP0.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity760
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)COC(=O)CN(C)C)F
InChI
InChI=1S/C22H30FN5O6/c1-15(29)24-11-17-12-28(22(32)34-17)16-4-5-19(18(23)10-16)26-6-8-27(9-7-26)20(30)14-33-21(31)13-25(2)3/h4-5,10,17H,6-9,11-14H2,1-3H3,(H,24,29)/t17-/m0/s1
InChIKey
QCJUVAWBUTUUML-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] 2-(dimethylamino)acetate
CAS: 170104-58-2
CID: 486245
Formula: C22H30FN5O6
MW: 479.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.5
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass479.21801186
Monoisotopic Mass479.21801186
Topological Polar Surface Area112 Ų
Heavy Atom Count34
Formal Charge0
Complexity760
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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