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Chemical ID: 6847293
Chemical ID:
6847293
Name [?]:
5,7-dimethyl-3-(1-piperidylcarbonylmethoxy)-2-(p-tolyl)chromen-4-one
SMILES [?]:
Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)N4CCCCC4
InChi [?]:
InChI=1/C25H27NO4/c1-16-7-9-19(10-8-16)24-25(29-15-21(27)26-11-5-4-6-12-26)23(28)22-18(3)13-17(2)14-20(22)30-24/h7-10,13-14H,4-6,11-12,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,28,27,29,3,7,4,6,26,30,14,16,22,2,15,13,5,17,23,12,10,8,9,25,24,11,21,18/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCCCCOCCCCCCOCCOCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s13;s9;s21;s22;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO4 |
All Atoms: | 57 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1081 |
Area: | 622.036 |
Solvation: | -4.44276 |
Coulombic: | -43.2497 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 405.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.36 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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