Chemical ID: 4558035

CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Oc3ccc4c5ccccc5c(=O)oc4c3
Chemical ID:
4558035
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Oc3ccc4c5ccccc5c(=O)oc4c3
InChi [?]:
InChI=1/C29H26N2O6/c1-29(2,3)37-28(34)31-24(14-17-16-30-23-11-7-6-8-19(17)23)27(33)35-18-12-13-21-20-9-4-5-10-22(20)26(32)36-25(21)15-18/h4-13,15-16,24,30H,14H2,1-3H3,(H,31,34)
InChi Info:
AuxInfo=1/1/N:1,3,4,29,30,17,18,16,28,31,19,24,25,10,37,12,11,23,15,27,26,32,14,9,36,33,20,6,2,13,8,34,21,7,22,35,5/E:(1,2,3)/rA:37cCCCCOCONCCCCNCCCCCCCOOCCCCCCCCCCCOOCC/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;s26;s27;d28;s29;d30;d27s31;s32;d33;s33;d26s35;d23s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26N2O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.6083
Area:722.563
Solvation:-4.45576
Coulombic:-83.8337
Bond Count [?]
All:41
Single:28
Double:13
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:498.527
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.91
LogP (Chemaxon):5.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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