Chemical ID: 6597812

CC(C)(C)C(=O)COC(=O)c1c2ccccc2nc3c1CCC3=Cc4ccc5c(c4)OCO5
Chemical ID:
6597812
Name [?]:
None
SMILES [?]:
CC(C)(C)C(=O)COC(=O)c1c2ccccc2nc3c1CCC3=Cc4ccc5c(c4)OCO5
InChi [?]:
InChI=1/C27H25NO5/c1-27(2,3)23(29)14-31-26(30)24-18-6-4-5-7-20(18)28-25-17(9-10-19(24)25)12-16-8-11-21-22(13-16)33-15-32-21/h4-8,11-13H,9-10,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,15,13,16,26,22,21,27,24,30,7,32,25,23,12,20,17,28,29,5,11,19,9,2,18,6,10,8,33,31/E:(1,2,3)/rA:33nCCCCCOCOCOCCCCCCCNCCCCCCCCCCCCOCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;d11s19;s20;s21;s19s22;w23;s24;s25;d26;s27;d28;d25s29;s29;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H25NO5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.3207
Area:663.096
Solvation:-5.25667
Coulombic:-50.0751
Bond Count [?]
All:37
Single:26
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:443.491
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.33
LogP (Chemaxon):6.05

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Descriptor Annotations

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