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Chemical ID: 4571060
Chemical ID:
4571060
Name [?]:
(4-ethyl-2-oxo-chromen-7-yl) 6-benzyloxycarbonylaminohexanoate
SMILES [?]:
CCc1cc(=O)oc2c1ccc(c2)OC(=O)CCCCCNC(=O)OCc3ccccc3
InChi [?]:
InChI=1/C25H27NO6/c1-2-19-15-24(28)32-22-16-20(12-13-21(19)22)31-23(27)11-7-4-8-14-26-25(29)30-17-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,15-16H,2,4,7-8,11,14,17H2,1H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,30,19,29,31,18,20,28,32,17,11,10,21,4,13,26,27,3,12,9,8,15,5,23,22,16,6,24,25,14,7/E:(5,6)(9,10)/rA:32nCCCCCOOCCCCCCOCOCCCCCNCOOCCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;s18;s19;s20;s21;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO6 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.9787 |
Area: | 738.682 |
Solvation: | -4.48833 |
Coulombic: | -71.9375 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 437.485 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.66 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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