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Chemical ID: 7216950
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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