Chemical ID: 5928761

CC(C)(C)CC(C)(C)Nc1c(nc2n1cccc2)c3cccc(c3)Cl
Chemical ID:
5928761
Name [?]:
8-(3-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(nc2n1cccc2)c3cccc(c3)Cl
InChi [?]:
InChI=1/C21H26ClN3/c1-20(2,3)14-21(4,5)24-19-18(15-9-8-10-16(22)13-15)23-17-11-6-7-12-25(17)19/h6-13,24H,14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,17,16,21,20,22,18,15,24,5,19,23,13,11,10,2,6,25,12,9,14/E:(1,2,3)(4,5)/rA:25nCCCCCCCCNCCNCNCCCCCCCCCCCl/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;d10;s11;d12;s10s13;s14;d15;s16;s13d17;s11;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26ClN3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.6678
Area:524.188
Solvation:-1.43688
Coulombic:-26.9625
Bond Count [?]
All:27
Single:20
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:355.904
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:7.04
LogP (Chemaxon):5.92

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