Chemical ID: 6847018

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)c4ccc(cc4)NC(=O)C)C
Chemical ID:
6847018
Name [?]:
N-[4-[2-[2-(2-chlorophenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxyacetyl]phenyl]acetamide
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)c4ccc(cc4)NC(=O)C)C
InChi [?]:
InChI=1/C27H22ClNO5/c1-15-12-16(2)25-21(13-15)24(32)27(26(34-25)20-6-4-5-7-22(20)28)33-14-23(31)18-8-10-19(11-9-18)29-17(3)30/h4-13H,14H2,1-3H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,34,33,15,16,14,17,25,29,26,28,3,7,21,2,4,31,24,27,13,6,18,22,8,5,11,10,19,30,32,23,9,20,12/E:(8,9)(10,11)/rA:34nCCCCCCCCOCCOCCCCCCClOCCOCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;d31;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H22ClNO5
All Atoms:56
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.648
Area:694.816
Solvation:-5.72235
Coulombic:-54.1533
Bond Count [?]
All:37
Single:24
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:475.92
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.73
LogP (Chemaxon):5.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue