Chemical ID: 6144223

CC(C)(C)OC(=O)NCC(=O)Oc1ccc2c(c1)occ(c2=O)c3cc4ccccc4o3
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

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Descriptor Annotations

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