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Chemical ID: 6908648
Chemical ID:
6908648
Name [?]:
2-[2-(4-methoxyphenyl)-4-oxo-chromen-3-yl]oxy-N-sec-butyl-acetamide
SMILES [?]:
CCC(C)NC(=O)COc1c(=O)c2ccccc2oc1c3ccc(cc3)OC
InChi [?]:
InChI=1/C22H23NO5/c1-4-14(2)23-19(24)13-27-22-20(25)17-7-5-6-8-18(17)28-21(22)15-9-11-16(26-3)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,4,28,2,15,16,14,17,22,26,23,25,8,3,21,24,13,18,6,11,20,10,5,7,12,27,9,19/E:(9,10)(11,12)/rA:28cCCCCNCOCOCCOCCCCCCOCCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO5 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.46494 |
Area: | 606.343 |
Solvation: | -5.69363 |
Coulombic: | -54.8633 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 381.422 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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