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Chemical ID: 6847113
Chemical ID:
6847113
Name [?]:
N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OCC(=O)Nc4ccc(cc4)Cl)C
InChi [?]:
InChI=1/C27H24ClNO6/c1-15-11-16(2)25-20(12-15)24(31)27(34-14-23(30)29-19-8-6-18(28)7-9-19)26(35-25)17-5-10-21(32-3)22(13-17)33-4/h5-13H,14H2,1-4H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,35,22,20,14,30,32,29,33,15,3,7,18,24,2,4,13,31,28,6,16,17,25,8,5,11,10,34,27,26,9,21,19,23,12/E:(6,7)(8,9)/rA:35nCCCCCCCCOCCOCCCCCCOCOCOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24ClNO6 |
All Atoms: | 59 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0463 |
Area: | 724.13 |
Solvation: | -8.05692 |
Coulombic: | -60.682 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 493.935 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.46 |
LogP (Chemaxon): | 5.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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