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Chemical ID: 7047572
Chemical ID:
7047572
Name [?]:
N-(2-methoxy-5-methyl-phenyl)-2-oxo-7-propoxy-chromene-3-carboxamide
SMILES [?]:
CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3cc(ccc3OC)C
InChi [?]:
InChI=1/C21H21NO5/c1-4-9-26-15-7-6-14-11-16(21(24)27-19(14)12-15)20(23)22-17-10-13(2)5-8-18(17)25-3/h5-8,10-12H,4,9H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,26,2,22,7,6,23,3,20,9,15,21,8,5,10,19,24,14,16,11,18,17,12,25,4,13/rA:27nCCCOCCCCCCCOOCCCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s11;d8s13;d5s14;s10;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO5 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06839 |
Area: | 593.129 |
Solvation: | -5.75984 |
Coulombic: | -54.2644 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.395 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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