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Chemical ID: 6847264
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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