Chemical ID: 6847264

Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)c3ccc(cc3)NC(=O)C)c4ccccc4Cl)C
Chemical ID:
6847264
Name [?]:
N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxyacetyl]phenyl]acetamide
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)c3ccc(cc3)NC(=O)C)c4ccccc4Cl)C
InChi [?]:
InChI=1/C27H22ClNO5/c1-15-12-16(2)24-23(13-15)34-26(20-6-4-5-7-21(20)28)27(25(24)32)33-14-22(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:1,34,26,29,30,28,31,18,22,19,21,3,7,14,2,4,24,17,20,27,32,15,6,5,11,9,10,33,23,25,16,12,13,8/E:(8,9)(10,11)/rA:34nCCCCCCCOCCCOOCCOCCCCCCNCOCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;d24;s24;s9;s27;d28;s29;d30;d27s31;s32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H22ClNO5
All Atoms:56
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.628
Area:694.864
Solvation:-5.74355
Coulombic:-54.0829
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:5.95
LogP (Chemaxon):5.21

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Descriptor Annotations

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