Chemical ID: 4571060

CCc1cc(=O)oc2c1ccc(c2)OC(=O)CCCCCNC(=O)OCc3ccccc3
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue