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Chemical ID: 7349334
Chemical ID:
7349334
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(5,7-dimethoxy-4-methyl-2-oxo-chromen-3-yl)-acetamide
SMILES [?]:
Cc1c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)NCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C22H21NO7/c1-12-15(22(25)30-19-8-14(26-2)7-18(27-3)21(12)19)9-20(24)23-10-13-4-5-16-17(6-13)29-11-28-16/h4-8H,9-11H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,14,16,23,24,27,10,12,17,21,29,2,22,11,3,25,26,9,7,18,8,4,20,19,5,13,15,30,28,6/rA:30nCCCCOOCCCCCCOCOCCCONCCCCCCCOCO/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;s9;s15;s3;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s26;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO7 |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69847 |
Area: | 617.871 |
Solvation: | -6.7483 |
Coulombic: | -68.5495 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 411.405 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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