Chemical ID: 6045691

CC1(C(N2C(S1)C(C2=O)NC(=O)Cc3ccccc3)C(=O)O[K])C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue