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Chemical ID: 7726520
Chemical ID:
7726520
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccn4)CCCN5CCOCC5
InChi [?]:
InChI=1/C24H25N3O4/c1-16-6-7-19-17(15-16)22(28)20-21(18-5-2-3-8-25-18)27(24(29)23(20)31-19)10-4-9-26-11-13-30-14-12-26/h2-3,5-8,15,21H,4,9-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,20,24,18,3,4,21,25,23,27,31,28,30,7,2,6,17,5,10,16,8,11,13,22,26,15,9,14,29,12/E:(11,12)(13,14)/rA:31cCCCCCCCCOCCOCONCCCCCCNCCCNCCOCC/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: | C24H25N3O4 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6374 |
Area: | 639.579 |
Solvation: | -5.3521 |
Coulombic: | -51.859 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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