Chemical ID: 3918349

CC(C)(C)Nc1c(nc2n1cccc2)c3ccc(cc3)N(C)C
Chemical ID:
3918349
Name [?]:
8-(4-dimethylaminophenyl)-N-tert-butyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CC(C)(C)Nc1c(nc2n1cccc2)c3ccc(cc3)N(C)C
InChi [?]:
InChI=1/C19H24N4/c1-19(2,3)21-18-17(20-16-8-6-7-13-23(16)18)14-9-11-15(12-10-14)22(4)5/h6-13,21H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,22,23,13,12,14,16,20,17,19,11,15,18,9,7,6,2,8,5,21,10/E:(1,2,3)(4,5)(9,10)(11,12)/rA:23nCCCCNCCNCNCCCCCCCCCCNCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;s6s9;s10;d11;s12;s9d13;s7;s15;d16;s17;d18;d15s19;s18;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.1706
Area:496.97
Solvation:-2.25369
Coulombic:-30.9429
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.421
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.59
LogP (Chemaxon):4.04

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