Chemical ID: 3965934

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)Cc3cccs3)SC1)C(=O)[O-]
Chemical ID:
3965934
Name [?]:
3-(acetoxymethyl)-8-oxo-7-[2-(2-thienyl)acetyl]amino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES [?]:
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)Cc3cccs3)SC1)C(=O)[O-]
InChi [?]:
InChI=1/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,19,18,20,16,5,23,2,6,17,14,10,7,11,9,24,13,8,3,15,12,25,26,4,21,22/E:(22,23)/rA:26cCCOOCCCNCCCONCOCCCCCSSCCOO-/rB:s1;d2;s2;s4;s5;d6;s7;s8;s9;s8s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;s17s20;s9;s6s22;s7;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N2O6S2-
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:-33.1065
Area:589.094
Solvation:-47.8338
Coulombic:-52.7186
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.432
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:-0.68
LogP (Chemaxon):-0.44

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Descriptor Annotations

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