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Chemical ID: 7674925
Chemical ID:
7674925
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)Cn2ccc(n2)NC(=O)c3cc(nc4c3c(nn4C)C5CC5)C6CC6
InChi [?]:
InChI=1/C25H26N6O/c1-15-3-5-16(6-4-15)14-31-12-11-21(28-31)27-25(32)19-13-20(17-7-8-17)26-24-22(19)23(18-9-10-18)29-30(24)2/h3-6,11-13,17-18H,7-10,14H2,1-2H3,(H,27,28,32)
InChi Info:
AuxInfo=1/1/N:1,26,3,7,4,6,31,32,28,29,11,10,18,8,2,5,30,27,17,19,12,22,23,21,15,20,14,13,24,25,9,16/E:(3,4)(5,6)(7,8)(9,10)/rA:32nCCCCCCCCNCCCNNCOCCCNCCCNNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s21s24;s25;s23;s27;s27s28;s19;s30;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N6O |
All Atoms: | 58 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.2249 |
Area: | 676.8 |
Solvation: | -3.69509 |
Coulombic: | -36.5752 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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