Chemical ID: 4569543

Cc1c(ccc2c1oc(=O)c3c2CCC3)OC(=O)C(C(C)C)NC(=O)OCc4ccccc4
Chemical ID:
4569543
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OC(=O)C(C(C)C)NC(=O)OCc4ccccc4
InChi [?]:
InChI=1/C26H27NO6/c1-15(2)22(27-26(30)31-14-17-8-5-4-6-9-17)25(29)32-21-13-12-19-18-10-7-11-20(18)24(28)33-23(19)16(21)3/h4-6,8-9,12-13,15,22H,7,10-11,14H2,1-3H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:21,22,1,31,30,32,14,29,33,13,15,5,4,27,20,2,28,12,6,11,3,19,7,9,17,24,23,10,18,25,26,16,8/E:(1,2)(5,6)(8,9)/rA:33cCCCCCCCOCOCCCCCOCOCCCCNCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;d17;s17;s19;s20;s20;s19;s23;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27NO6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.5538
Area:691.701
Solvation:-3.73875
Coulombic:-73.7899
Bond Count [?]
All:36
Single:26
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:449.496
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.54
LogP (Chemaxon):5.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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