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ZINC03129319

CAT: 0127-BUP21562-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21562-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1777807-64-3
MDL Number
MFCD31657427
Purity
=90%
Smiles
O=C1C2(N3[C@](CS2)(C(=O)N4[C@@](C3=O)(CSC45C(=O)C=6C(C5=O)=CC=CC6)[H])[H])C(=O)C=7C1=CC=CC7

Chemical Information

CID 2728815
CAS Number1777807-64-3
PubChem CID2728815
Molecular FormulaC24H14N2O6S2
Molecular Weight490.5
XLogP2.4
Topological Polar Surface Area160
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count34
Formal Charge0
Complexity957
SMILES
C1[C@@H]2C(=O)N3[C@H](CSC34C(=O)C5=CC=CC=C5C4=O)C(=O)N2C6(S1)C(=O)C7=CC=CC=C7C6=O
InChI
InChI=1S/C24H14N2O6S2/c27-17-11-5-1-2-6-12(11)18(28)23(17)25-15(9-33-23)22(32)26-16(21(25)31)10-34-24(26)19(29)13-7-3-4-8-14(13)20(24)30/h1-8,15-16H,9-10H2/t15-,16-/m1/s1
InChIKey
GBYAWPJNMFAKDJ-HZPDHXFCSA-N
Chemical Structure
2D Structure
2D structure of CID 2728815
CAS: 1777807-64-3
CID: 2728815
Formula: C24H14N2O6S2
MW: 490.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.5
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass490.02932852
Monoisotopic Mass490.02932852
Topological Polar Surface Area160 Ų
Heavy Atom Count34
Formal Charge0
Complexity957
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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M26521-01ZINC03129319
A19786-50ZINC03129319 50mg
A19786-500ZINC03129319 500mg
A19786-25ZINC03129319 25mg
A19786-10ZINC03129319 10mg
A19786-5ZINC03129319 5mg
A19786-2ZINC03129319 2mg
A19786-100ZINC03129319 100mg

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