Chemical ID: 3918398

Cc1ccc(cc1)c2c(n3ccc(cc3n2)C)NC(C)(C)C
Chemical ID:
3918398
Name [?]:
4-methyl-8-(p-tolyl)-N-tert-butyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1ccc(cc1)c2c(n3ccc(cc3n2)C)NC(C)(C)C
InChi [?]:
InChI=1/C19H23N3/c1-13-6-8-15(9-7-13)17-18(21-19(3,4)5)22-11-10-14(2)12-16(22)20-17/h6-12,21H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,17,20,21,22,3,7,4,6,12,11,14,2,13,5,15,8,9,19,16,18,10/E:(3,4,5)(6,7)(8,9)/rA:22nCCCCCCCCCNCCCCCNCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s13;s9;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4978
Area:480.821
Solvation:-1.52272
Coulombic:-25.6262
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:293.406
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.17
LogP (Chemaxon):4.71

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