Chemical ID: 4829845

Cc1ccc(c(c1)C)n2c3c(cn2)c(ncn3)N4CC(CC(C4)C)C
Chemical ID:
4829845
Name [?]:
9-(2,4-dimethylphenyl)-5-(3,5-dimethyl-1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraene
SMILES [?]:
Cc1ccc(c(c1)C)n2c3c(cn2)c(ncn3)N4CC(CC(C4)C)C
InChi [?]:
InChI=1/C20H25N5/c1-13-5-6-18(16(4)8-13)25-20-17(9-23-25)19(21-12-22-20)24-10-14(2)7-15(3)11-24/h5-6,8-9,12,14-15H,7,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,25,8,3,4,21,7,12,23,19,16,2,22,20,6,11,5,14,10,15,17,13,18,9/E:(2,3)(10,11)(14,15)/rA:25cCCCCCCCCNCCCNCNCNNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s9d12;d11;s14;d15;d10s16;s14;s18;s19;s20;s21;s18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:11.332
Area:536.129
Solvation:-2.07122
Coulombic:-24.1454
Bond Count [?]
All:28
Single:21
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:335.446
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.01
LogP (Chemaxon):5.12

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