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Chemical ID: 6847362
Chemical ID:
6847362
Name [?]:
2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxy-N-(4-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)COc2c(=O)c3c(cc(cc3oc2c4ccc(c(c4)OC)OC)C)C
InChi [?]:
InChI=1/C29H29NO6/c1-6-19-7-10-21(11-8-19)30-25(31)16-35-29-27(32)26-18(3)13-17(2)14-24(26)36-28(29)20-9-12-22(33-4)23(15-20)34-5/h7-15H,6,16H2,1-5H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,35,36,34,32,2,4,8,26,5,7,27,19,21,30,12,20,18,3,25,6,28,29,22,10,17,15,24,14,9,11,16,33,31,13,23/E:(7,8)(10,11)/rA:36nCCCCCCCCNCOCOCCOCCCCCCOCCCCCCCOCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H29NO6 |
All Atoms: | 65 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4193 |
Area: | 738.231 |
Solvation: | -8.03644 |
Coulombic: | -60.7623 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 487.544 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.95 |
LogP (Chemaxon): | 5.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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