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Chemical ID: 6577653
Chemical ID:
6577653
Name [?]:
(3,4-dimethoxyphenyl)carbamoylmethyl 2-(2-furylcarbonylamino)-4,5-dimethoxy-benzoate
SMILES [?]:
COc1ccc(cc1OC)NC(=O)COC(=O)c2cc(c(cc2NC(=O)c3ccco3)OC)OC
InChi [?]:
InChI=1/C24H24N2O9/c1-30-17-8-7-14(10-19(17)31-2)25-22(27)13-35-24(29)15-11-20(32-3)21(33-4)12-16(15)26-23(28)18-6-5-9-34-18/h5-12H,13H2,1-4H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,10,35,33,29,28,5,4,30,7,19,22,14,6,18,23,3,27,8,20,21,12,25,16,11,24,13,26,17,2,9,34,32,31,15/rA:35nCOCCCCCCOCNCOCOCOCCCCCCNCOCCCCOOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s24;d25;s25;d27;s28;d29;s27s30;s21;s32;s20;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O9 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.14391 |
Area: | 728.758 |
Solvation: | -11.075 |
Coulombic: | -95.393 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 484.455 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 10 |
XLogP: | 1.92 |
LogP (Chemaxon): | 2.32 |
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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