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Chemical ID: 5581269
Chemical ID:
5581269
Name [?]:
(3-chloro-4-methoxy-phenyl)carbamoylmethyl 2-(2-furylcarbonylamino)-4,5-dimethoxy-benzoate
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)COC(=O)c2cc(c(cc2NC(=O)c3ccco3)OC)OC
InChi [?]:
InChI=1/C23H21ClN2O8/c1-30-17-7-6-13(9-15(17)24)25-21(27)12-34-23(29)14-10-19(31-2)20(32-3)11-16(14)26-22(28)18-5-4-8-33-18/h4-11H,12H2,1-3H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,34,32,28,27,5,4,29,7,18,21,13,6,17,8,22,3,26,19,20,11,24,15,9,10,23,12,25,16,2,33,31,30,14/rA:34nCOCCCCCCClNCOCOCOCCCCCCNCOCCCCOOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;d24;s24;d26;s27;d28;s26s29;s20;s31;s19;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O8 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11703 |
Area: | 724.565 |
Solvation: | -8.99709 |
Coulombic: | -89.5698 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 488.874 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 2.9 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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