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Chemical ID: 7079232
Chemical ID:
7079232
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4)CCCN5CCOCC5
InChi [?]:
InChI=1/C25H26N2O4/c1-17-8-9-20-19(16-17)23(28)21-22(18-6-3-2-4-7-18)27(25(29)24(21)31-20)11-5-10-26-12-14-30-15-13-26/h2-4,6-9,16,22H,5,10-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,24,18,22,3,4,25,23,27,31,28,30,7,2,17,6,5,10,16,8,11,13,26,15,9,14,29,12/E:(3,4)(6,7)(12,13)(14,15)/rA:31cCCCCCCCCOCCOCONCCCCCCCCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s15;s23;s24;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O4 |
All Atoms: | 57 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4888 |
Area: | 612.413 |
Solvation: | -4.82151 |
Coulombic: | -48.9395 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 418.485 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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