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Chemical ID: 6303718
Chemical ID:
6303718
Name [?]:
None
SMILES [?]:
CCC(=O)N1c2ccccc2NC3=C(C1c4cc(c(c(c4)OC)OC)OC)C(=O)CC(C3)c5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C33H36N2O7/c1-7-30(37)35-24-11-9-8-10-22(24)34-23-14-20(19-12-13-26(38-2)27(16-19)39-3)15-25(36)31(23)32(35)21-17-28(40-4)33(42-6)29(18-21)41-5/h8-13,16-18,20,32,34H,7,14-15H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,42,40,23,27,25,2,9,8,10,7,34,35,32,30,38,21,17,33,31,16,11,13,6,28,36,37,20,18,3,14,15,19,12,5,29,4,41,39,22,26,24/E:(4,5)(17,18)(28,29)(40,41)/rA:42cCCCONCCCCCCNCCCCCCCCCOCOCOCCOCCCCCCCCCOCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s5s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;s14;d28;s28;s30;s13s31;s31;s33;d34;s35;d36;d33s37;s37;s39;s36;s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H36N2O7 |
All Atoms: | 42 |
Heavy Atoms: | 42 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.80935 |
Area: | 782.888 |
Solvation: | -11.7629 |
Coulombic: | -69.2561 |
Bond Count [?]
All: | 46 |
Single: | 34 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 572.648 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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