Chemical ID: 5577734

Cc1cc(c(c(c1)C)NC(=O)COC(=O)c2cc(c(cc2NC(=O)c3ccco3)OC)OC)C
Chemical ID:
5577734
Name [?]:
(2,4,6-trimethylphenyl)carbamoylmethyl 2-(2-furylcarbonylamino)-4,5-dimethoxy-benzoate
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)COC(=O)c2cc(c(cc2NC(=O)c3ccco3)OC)OC)C
InChi [?]:
InChI=1/C25H26N2O7/c1-14-9-15(2)23(16(3)10-14)27-22(28)13-34-25(30)17-11-20(31-4)21(32-5)12-18(17)26-24(29)19-7-6-8-33-19/h6-12H,13H2,1-5H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,8,34,33,31,27,26,28,7,3,17,20,12,2,6,4,16,21,25,18,19,10,5,23,14,22,9,11,24,15,32,30,29,13/E:(2,3)(9,10)(15,16)/rA:34nCCCCCCCCNCOCOCOCCCCCCNCOCCCCOOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;d23;s23;d25;s26;d27;s25s28;s19;s30;s18;s32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26N2O7
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.0537
Area:707.447
Solvation:-7.63251
Coulombic:-82.6302
Bond Count [?]
All:36
Single:25
Double:11
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:466.483
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.25
LogP (Chemaxon):2.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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