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Chemical ID: 6045691
Chemical ID:
6045691
Name [?]:
[3,3-dimethyl-7-oxo-6-(2-phenylacetyl)amino-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyloxypotassium
SMILES [?]:
CC1(C(N2C(S1)C(C2=O)NC(=O)Cc3ccccc3)C(=O)O[K])C
InChi [?]:
InChI=1/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1
InChi Info:
AuxInfo=1/1/N:1,24,17,16,18,15,19,13,14,11,7,3,8,5,20,2,10,4,12,9,21,22,6;23/E:(1,2)(4,5)(6,7)(21,22);/rA:24cCCCNCSCCONCOCCCCCCCCOOKC/rB:s1;s2;s3;s4;s2s5;s5;s4s7;d8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s3;d20;s20;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17KN2O4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.85 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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