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Chemical ID: 7741758
Chemical ID:
7741758
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)N2CC(CC2=O)C(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4
InChi [?]:
InChI=1/C25H26N2O4/c1-17-6-8-19(9-7-17)27-16-18(14-23(27)29)24(30)26-12-10-25(11-13-26)15-21(28)20-4-2-3-5-22(20)31-25/h2-9,18H,10-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,28,26,29,3,7,4,6,18,20,17,21,11,22,9,2,10,5,25,23,30,12,14,19,16,8,24,13,15,31/E:(6,7)(8,9)(10,11)(12,13)/rA:31cCCCCCCCNCCCCOCONCCCCCCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s8s11;d12;s10;d14;s14;s16;s17;s18;s19;s16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;s19s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O4 |
All Atoms: | 57 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6613 |
Area: | 621.214 |
Solvation: | -4.86909 |
Coulombic: | -46.4932 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.54 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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