Chemical ID: 3968342

CCN(CC)CCCC(C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl
Chemical ID:
3968342
Name [?]:
N'-(6-chloro-2-methoxy-acridin-9-yl)-N,N-diethyl-pentane-1,4-diamine
SMILES [?]:
CCN(CC)CCCC(C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl
InChi [?]:
InChI=1/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,5,10,27,2,4,7,8,15,24,14,25,6,17,22,9,16,23,13,21,20,18,12,28,11,19,3,26/E:(1,2)(5,6)/rA:28cCCNCCCCCCCNCCCCCCCNCCCCCCOCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;d12s20;s21;d22;s23;s20d24;s23;s26;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30ClN3O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.7669
Area:634.845
Solvation:-3.10423
Coulombic:-30.7712
Bond Count [?]
All:30
Single:23
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:399.957
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.54
LogP (Chemaxon):4.96

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Descriptor Annotations

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