Chemical ID: 7427773

Cc1cccc(c1)N2C(=O)C3C(NC(C3C2=O)C(=O)O)c4ccccc4O
Chemical ID:
7427773
Name [?]:
2-(2-hydroxyphenyl)-7-(m-tolyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
Cc1cccc(c1)N2C(=O)C3C(NC(C3C2=O)C(=O)O)c4ccccc4O
InChi [?]:
InChI=1/C20H18N2O5/c1-10-5-4-6-11(9-10)22-18(24)14-15(19(22)25)17(20(26)27)21-16(14)12-7-2-3-8-13(12)23/h2-9,14-17,21,23H,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,23,24,4,3,5,22,25,7,2,6,21,26,11,15,12,14,9,16,18,13,8,27,10,17,19,20/E:(26,27)/rA:27cCCCCCCCNCOCCNCCCOCOOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s11s14;s8s15;d16;s14;d18;s18;s12;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O5
All Atoms:45
Heavy Atoms:27
Chiral Atoms:4
ZAP Information [?]
Total:7.84925
Area:540.767
Solvation:-5.66994
Coulombic:-73.4522
Bond Count [?]
All:30
Single:21
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.367
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.21
LogP (Chemaxon):-0.39

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