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Chemical ID: 7047213
Chemical ID:
7047213
Name [?]:
N,N-diethyl-7-methoxy-2-oxo-chromene-3-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1cc2ccc(cc2oc1=O)OC
InChi [?]:
InChI=1/C15H17NO4/c1-4-16(5-2)14(17)12-8-10-6-7-11(19-3)9-13(10)20-15(12)18/h6-9H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,20,2,4,11,12,9,14,10,13,8,15,6,17,3,7,18,19,16/E:(1,2)(4,5)/rA:20nCCNCCCOCCCCCCCCOCOOC/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;d11;s12;d13;d10s14;s15;s8s16;d17;s13;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO4 |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.0743 |
Area: | 462.26 |
Solvation: | -4.48219 |
Coulombic: | -41.9634 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.0 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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