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Chemical ID: 5577734
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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