Chemical ID: 4570493

CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Oc3ccc4c(c3)oc(=O)c5c4CCC5
Chemical ID:
4570493
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Oc3ccc4c(c3)oc(=O)c5c4CCC5
InChi [?]:
InChI=1/C28H28N2O6/c1-28(2,3)36-27(33)30-23(13-16-15-29-22-10-5-4-7-18(16)22)26(32)34-17-11-12-20-19-8-6-9-21(19)25(31)35-24(20)14-17/h4-5,7,10-12,14-15,23,29H,6,8-9,13H2,1-3H3,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,18,35,16,34,36,19,24,25,10,28,12,11,23,15,33,26,32,14,9,27,30,20,6,2,13,8,31,21,7,22,29,5/E:(1,2,3)/rA:36cCCCCOCONCCCCNCCCCCCCOOCCCCCCOCOCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s9;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;d30;s30;s26d32;s33;s34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H28N2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:13.3162
Area:712.587
Solvation:-4.49846
Coulombic:-82.3366
Bond Count [?]
All:40
Single:29
Double:11
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:488.532
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.76
LogP (Chemaxon):5.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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