Chemical ID: 4444980

CCOC(=O)c1c(c(=O)c2ccc(cc2o1)OCc3ccccc3F)c4ccc(c(c4)OC)OC
Chemical ID:
4444980
Name [?]:
ethyl 3-(3,4-dimethoxyphenyl)-7-[(2-fluorophenyl)methoxy]-4-oxo-chromene-2-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(=O)c2ccc(cc2o1)OCc3ccccc3F)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C27H23FO7/c1-4-33-27(30)26-24(16-9-12-21(31-2)23(13-16)32-3)25(29)19-11-10-18(14-22(19)35-26)34-15-17-7-5-6-8-20(17)28/h5-14H,4,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,33,2,21,22,20,23,27,12,11,28,31,14,18,26,19,13,10,24,29,15,30,7,8,6,4,25,9,5,34,32,3,17,16/rA:35nCCOCOCCCOCCCCCCOOCCCCCCCFCCCCCCOCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s8;s10;d11;s12;d13;d10s14;s6s15;s13;s17;s18;s19;d20;s21;d22;d19s23;s24;s7;s26;d27;s28;d29;d26s30;s30;s32;s29;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H23FO7
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:9.68818
Area:710.548
Solvation:-8.07553
Coulombic:-63.3945
Bond Count [?]
All:38
Single:26
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:478.466
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.26
LogP (Chemaxon):4.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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