Chemical ID: 5581269

COc1ccc(cc1Cl)NC(=O)COC(=O)c2cc(c(cc2NC(=O)c3ccco3)OC)OC
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

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Descriptor Annotations

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