Chemical ID: 4569979

Cc1cc(=O)oc2c1ccc(c2)OC(=O)CCCCCNC(=O)OC(C)(C)C
Chemical ID:
4569979
Name [?]:
(4-methyl-2-oxo-chromen-7-yl) 6-tert-butoxycarbonylaminohexanoate
SMILES [?]:
Cc1cc(=O)oc2c1ccc(c2)OC(=O)CCCCCNC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C21H27NO6/c1-14-12-19(24)27-17-13-15(9-10-16(14)17)26-18(23)8-6-5-7-11-22-20(25)28-21(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,26,27,28,18,17,19,16,10,9,20,3,12,2,11,8,7,14,4,22,25,21,15,5,23,13,6,24/E:(2,3,4)/rA:28nCCCCOOCCCCCCOCOCCCCCNCOOCCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;s18;s19;s20;s21;d22;s22;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27NO6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4346
Area:657.479
Solvation:-4.00236
Coulombic:-70.1707
Bond Count [?]
All:29
Single:22
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:389.442
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.79
LogP (Chemaxon):3.69

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Descriptor Annotations

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