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Chemical ID: 7353391
Chemical ID:
7353391
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(7,8-dimethoxy-4-methyl-2-oxo-chromen-3-yl)-acetamide
SMILES [?]:
Cc1c2ccc(c(c2oc(=O)c1CC(=O)NCc3ccc4c(c3)OCO4)OC)OC
InChi [?]:
InChI=1/C22H21NO7/c1-12-14-5-7-17(26-2)21(27-3)20(14)30-22(25)15(12)9-19(24)23-10-13-4-6-16-18(8-13)29-11-28-16/h4-8H,9-11H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,30,28,19,4,20,5,23,13,17,25,2,18,3,12,21,6,22,14,8,7,10,16,15,11,29,27,26,24,9/rA:30nCCCCCCCCOCOCCCONCCCCCCCOCOOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;s7;s27;s6;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO7 |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.43378 |
Area: | 625.436 |
Solvation: | -8.20211 |
Coulombic: | -68.9226 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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