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Chemical ID: 7658784
Chemical ID:
7658784
Name [?]:
None
SMILES [?]:
c1ccc(cc1)Cc2c3ccccc3c(nn2)N4CCN(CC4)c5ccccn5
InChi [?]:
InChI=1/C24H23N5/c1-2-8-19(9-3-1)18-22-20-10-4-5-11-21(20)24(27-26-22)29-16-14-28(15-17-29)23-12-6-7-13-25-23/h1-13H,14-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,26,27,3,5,10,13,25,28,20,22,19,23,7,4,9,14,8,24,15,29,17,16,21,18/E:(2,3)(8,9)(14,15)(16,17)/rA:29nCCCCCCCCCCCCCCCNNNCCNCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s15;s18;s19;s20;s21;s18s22;s21;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N5 |
All Atoms: | 52 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5571 |
Area: | 587.976 |
Solvation: | -3.14227 |
Coulombic: | -25.4167 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.27 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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