Chemical ID: 7445532

Cc1c2cc3c(cc2oc1C(=O)NCCO)c(c(o3)C(=O)NCCO)C
Chemical ID:
7445532
Name [?]:
None
SMILES [?]:
Cc1c2cc3c(cc2oc1C(=O)NCCO)c(c(o3)C(=O)NCCO)C
InChi [?]:
InChI=1/C18H20N2O6/c1-9-11-7-14-12(10(2)16(26-14)18(24)20-4-6-22)8-13(11)25-15(9)17(23)19-3-5-21/h7-8,21-22H,3-6H2,1-2H3,(H,19,23)(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,26,14,23,15,24,4,7,2,17,3,6,8,5,10,18,11,20,13,22,16,25,12,21,9,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:26nCCCCCCCCOCCONCCOCCOCONCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;s15;s6;d17;s5s18;s18;d20;s20;s22;s23;s24;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O6
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.04735
Area:585.848
Solvation:-5.59883
Coulombic:-93.4066
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:360.361
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:-0.19
LogP (Chemaxon):0.58

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Descriptor Annotations

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