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Chemical ID: 6144223
Chemical ID:
6144223
Name [?]:
(3-benzofuran-2-yl-4-oxo-chromen-7-yl) 2-tert-butoxycarbonylaminoacetate
SMILES [?]:
CC(C)(C)OC(=O)NCC(=O)Oc1ccc2c(c1)occ(c2=O)c3cc4ccccc4o3
InChi [?]:
InChI=1/C24H21NO7/c1-24(2,3)32-23(28)25-12-21(26)30-15-8-9-16-19(11-15)29-13-17(22(16)27)20-10-14-6-4-5-7-18(14)31-20/h4-11,13H,12H2,1-3H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,3,4,28,29,27,30,14,15,25,18,9,20,26,13,16,21,31,17,24,10,22,6,2,8,11,23,7,19,12,32,5/E:(1,2,3)/rA:32nCCCCOCONCCOOCCCCCCOCCCOCCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s16s21;d22;s21;d24;s25;s26;d27;s28;d29;d26s30;s24s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21NO7 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.821 |
Area: | 677.28 |
Solvation: | -5.111 |
Coulombic: | -75.0503 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 435.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.02 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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