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Chemical ID: 4268397
Chemical ID:
4268397
Name [?]:
N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine
SMILES [?]:
CN1CCN(CC1)c2ccc(cc2)Nc3c4ccccc4nc5c3cccc5
InChi [?]:
InChI=1/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,18,26,19,27,17,25,20,28,10,12,9,13,3,7,4,6,11,8,16,24,21,23,15,14,22,2,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(20,21)(22,23)/rA:28nCNCCNCCCCCCCCNCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;d15s23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9463 |
Area: | 577.193 |
Solvation: | -2.48351 |
Coulombic: | -30.43 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 368.474 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.54 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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