Chemical ID: 7216950

COc1ccc(cc1)OCc2ccc(o2)C3C4=C(CCCC4=O)OC(=C3C(=O)OC)N
Chemical ID:
7216950
Name [?]:
methyl 2-amino-4-[5-[(4-methoxyphenoxy)methyl]-2-furyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
SMILES [?]:
COc1ccc(cc1)OCc2ccc(o2)C3C4=C(CCCC4=O)OC(=C3C(=O)OC)N
InChi [?]:
InChI=1/C23H23NO7/c1-27-13-6-8-14(9-7-13)29-12-15-10-11-18(30-15)20-19-16(25)4-3-5-17(19)31-22(24)21(20)23(26)28-2/h6-11,20H,3-5,12,24H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,20,21,19,4,8,5,7,12,13,10,3,6,11,22,18,14,17,16,26,25,27,31,23,28,2,29,9,15,24/E:(6,7)(8,9)/rA:31cCOCCCCCCOCCCCCOCCCCCCCOOCCCOOCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;s19;s20;s17s21;d22;s18;s24;s16d25;s26;d27;s27;s29;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23NO7
All Atoms:54
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.18944
Area:619.453
Solvation:-7.29688
Coulombic:-69.7591
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:425.431
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.2
LogP (Chemaxon):1.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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