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Chemical ID: 7047598
Chemical ID:
7047598
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-oxo-7-propoxy-chromene-3-carboxamide
SMILES [?]:
CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3ccc(c(c3)Cl)C
InChi [?]:
InChI=1/C20H18ClNO4/c1-3-8-25-15-7-5-13-9-16(20(24)26-18(13)11-15)19(23)22-14-6-4-12(2)17(21)10-14/h4-7,9-11H,3,8H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,2,21,7,20,6,3,9,24,15,22,8,19,5,10,23,14,16,11,25,18,17,12,4,13/rA:26nCCCOCCCCCCCOOCCCONCCCCCCClC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s11;d8s13;d5s14;s10;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18ClNO4 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62127 |
Area: | 588.357 |
Solvation: | -5.08766 |
Coulombic: | -46.7195 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 371.814 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.21 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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