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Chemical ID: 6847361
Chemical ID:
6847361
Name [?]:
2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxy-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2c(=O)c3c(cc(cc3oc2c4ccc(c(c4)OC)OC)C)C
InChi [?]:
InChI=1/C28H27NO6/c1-16-12-18(3)25-23(13-16)35-27(19-10-11-21(32-4)22(14-19)33-5)28(26(25)31)34-15-24(30)29-20-9-7-6-8-17(20)2/h6-14H,15H2,1-5H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:34,1,35,33,31,4,5,3,6,25,26,18,20,29,11,19,2,17,24,7,27,28,21,9,16,14,23,13,8,10,15,32,30,12,22/rA:35nCCCCCCCNCOCOCCOCCCCCCOCCCCCCCOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H27NO6 |
All Atoms: | 62 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70539 |
Area: | 709.654 |
Solvation: | -8.03597 |
Coulombic: | -60.5699 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 473.517 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.27 |
LogP (Chemaxon): | 4.69 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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