Chemical ID: 6847293

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)N4CCCCC4
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

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Descriptor Annotations

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