Chemical ID: 6855770

Cc1ccc2c(c1)oc(c(c2=O)OCC(=O)N3CCCC3)c4ccccc4
Chemical ID:
6855770
Name [?]:
7-methyl-2-phenyl-3-(pyrrolidin-1-ylcarbonylmethoxy)chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)oc(c(c2=O)OCC(=O)N3CCCC3)c4ccccc4
InChi [?]:
InChI=1/C22H21NO4/c1-15-9-10-17-18(13-15)27-21(16-7-3-2-4-8-16)22(20(17)25)26-14-19(24)23-11-5-6-12-23/h2-4,7-10,13H,5-6,11-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,19,20,23,27,3,4,18,21,7,14,2,22,5,6,15,11,9,10,17,16,12,13,8/E:(3,4)(5,6)(7,8)(11,12)/rA:27nCCCCCCCOCCCOOCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;s19;s17s20;s9;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO4
All Atoms:48
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.64855
Area:570.854
Solvation:-4.62281
Coulombic:-43.2364
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:363.406
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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