Chemical ID: 4568279

Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccc(cc3)Cl
Chemical ID:
4568279
Name [?]:
N-[(4-chlorophenyl)methyl]-2-(4-methyl-2-oxo-chromen-7-yl)oxy-acetamide
SMILES [?]:
Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H16ClNO4/c1-12-8-19(23)25-17-9-15(6-7-16(12)17)24-11-18(22)21-10-13-2-4-14(20)5-3-13/h2-9H,10-11H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,24,21,23,10,9,3,12,18,14,2,19,22,11,8,7,15,4,25,17,16,5,13,6/E:(2,3)(4,5)/rA:25nCCCCOOCCCCCCOCCONCCCCCCCCl/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClNO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.07408
Area:581.295
Solvation:-5.45829
Coulombic:-47.6294
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.787
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.55
LogP (Chemaxon):3.55

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