Chemical ID: 5927896

Cc1cc(n2c(c1)nc(c2NC3CCCCC3)c4ccc(cc4)Cl)C
Chemical ID:
5927896
Name [?]:
8-(4-chlorophenyl)-N-cyclohexyl-2,4-dimethyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1cc(n2c(c1)nc(c2NC3CCCCC3)c4ccc(cc4)Cl)C
InChi [?]:
InChI=1/C21H24ClN3/c1-14-12-15(2)25-19(13-14)24-20(16-8-10-17(22)11-9-16)21(25)23-18-6-4-3-5-7-18/h8-13,18,23H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,15,14,16,13,17,19,23,20,22,3,7,2,4,18,21,12,6,9,10,24,11,8,5/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCNCCNCCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s13;s14;s15;s12s16;s9;s18;d19;s20;d21;d18s22;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24ClN3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.8099
Area:534.728
Solvation:-1.55831
Coulombic:-25.9688
Bond Count [?]
All:28
Single:21
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:353.888
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:6.12
LogP (Chemaxon):5.53

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Descriptor Annotations

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