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Chemical ID: 5581276
Chemical ID:
5581276
Name [?]:
m-tolylcarbamoylmethyl 2-(2-furylcarbonylamino)-4,5-dimethoxy-benzoate
SMILES [?]:
Cc1cccc(c1)NC(=O)COC(=O)c2cc(c(cc2NC(=O)c3ccco3)OC)OC
InChi [?]:
InChI=1/C23H22N2O7/c1-14-6-4-7-15(10-14)24-21(26)13-32-23(28)16-11-19(29-2)20(30-3)12-17(16)25-22(27)18-8-5-9-31-18/h4-12H,13H2,1-3H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,32,30,4,26,3,5,25,27,7,16,19,11,2,6,15,20,24,17,18,9,22,13,8,21,10,23,14,31,29,28,12/rA:32nCCCCCCCNCOCOCOCCCCCCNCOCCCCOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;d22;s22;d24;s25;d26;s24s27;s18;s29;s17;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O7 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20844 |
Area: | 674.471 |
Solvation: | -7.65333 |
Coulombic: | -82.9423 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 438.43 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.8 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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