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Chemical ID: 3858082
Chemical ID:
3858082
Name [?]:
2-(2,3-dimethylphenyl)imino-N-(2-furylmethyl)-7-hydroxy-chromene-3-carboxamide
SMILES [?]:
Cc1cccc(c1C)N=c2c(cc3ccc(cc3o2)O)C(=O)NCc4ccco4
InChi [?]:
InChI=1/C23H20N2O4/c1-14-5-3-7-20(15(14)2)25-23-19(22(27)24-13-18-6-4-10-28-18)11-16-8-9-17(26)12-21(16)29-23/h3-12,26H,13H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,8,4,27,3,26,5,14,15,28,12,17,24,2,7,13,16,25,11,6,18,21,10,23,9,20,22,29,19/rA:29nCCCCCCCCNCCCCCCCCCOOCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;d11;s12;s13;d14;s15;d16;d13s17;s10s18;s16;s11;d21;s21;s23;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76263 |
Area: | 542.559 |
Solvation: | -4.80136 |
Coulombic: | -58.4813 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.416 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.42 |
LogP (Chemaxon): | 4.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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