Chemical ID: 6500635

CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)N(C4=O)c5ccc(cc5)C(=O)O)C)C(=O)N(C3=O)c6ccc(cc6)C(=O)O)C
Chemical ID:
6500635
Name [?]:
None
SMILES [?]:
CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)N(C4=O)c5ccc(cc5)C(=O)O)C)C(=O)N(C3=O)c6ccc(cc6)C(=O)O)C
InChi [?]:
InChI=1/C31H26N2O10/c1-4-43-30(42)21-13(2)18-19-22(26(36)32(24(19)34)16-9-5-14(6-10-16)28(38)39)31(21,3)23-20(18)25(35)33(27(23)37)17-11-7-15(8-12-17)29(40)41/h5-12,18-20,22-23H,4H2,1-3H3,(H,38,39)(H,40,41)
InChi Info:
AuxInfo=1/1/N:1,43,28,2,21,23,36,38,20,24,35,39,7,22,37,19,34,8,13,9,6,12,10,14,32,17,29,25,40,4,11,16,31,15,33,18,30,26,27,41,42,5,3/E:(5,6,7,8)(9,10,11,12)(14,15)(16,17)(19,20)(22,23)(24,25)(26,27)(28,29)(32,33)(34,35)(36,37)(38,39,40,41)/gE:(1,2)/rA:43cCCOCOCCCCCCCCCONCOCCCCCCCOOCCONCOCCCCCCCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s6s10;s11;s8s12;s13;d14;s14;s12s16;d17;s16;s19;d20;s21;d22;d19s23;s22;d25;s25;s11;s10;d29;s29;s9s31;d32;s31;s34;d35;s36;d37;d34s38;s37;d40;s40;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H26N2O10
All Atoms:43
Heavy Atoms:43
Chiral Atoms:4
ZAP Information [?]
Total:8.48856
Area:608.143
Solvation:-6.71501
Coulombic:-114.074
Bond Count [?]
All:48
Single:34
Double:14
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:586.546
H-Bond Donors:2
H-Bond Acceptors:12
XLogP:0.63
LogP (Chemaxon):1.43

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