Chemical ID: 5928821

CC(C)(C)CC(C)(C)Nc1c(nc2n1cc(cc2)Cl)c3ccc(cc3)Cl
Chemical ID:
5928821
Name [?]:
4-chloro-8-(4-chlorophenyl)-N-(1,1,3,3-tetramethylbutyl)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CC(C)(C)CC(C)(C)Nc1c(nc2n1cc(cc2)Cl)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H25Cl2N3/c1-20(2,3)13-21(4,5)25-19-18(14-6-8-15(22)9-7-14)24-17-11-10-16(23)12-26(17)19/h6-12,25H,13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,21,25,22,24,17,18,15,5,20,23,16,13,11,10,2,6,26,19,12,9,14/E:(1,2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCCCNCCNCNCCCCClCCCCCCCl/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;d10;s11;d12;s10s13;s14;d15;s16;s13d17;s16;s11;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25Cl2N3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.5806
Area:555.281
Solvation:-1.30137
Coulombic:-27.3293
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.349
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:7.58
LogP (Chemaxon):6.44

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