Chemical ID: 3918431

Cc1ccc2nc(c(n2c1)NC(C)(C)C)c3ccc(cc3)OC
Chemical ID:
3918431
Name [?]:
8-(4-methoxyphenyl)-4-methyl-N-tert-butyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1ccc2nc(c(n2c1)NC(C)(C)C)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H23N3O/c1-13-6-11-16-20-17(14-7-9-15(23-5)10-8-14)18(22(16)12-13)21-19(2,3)4/h6-12,21H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,13,14,15,23,3,17,21,18,20,4,10,2,16,19,5,7,8,12,6,11,9,22/E:(2,3,4)(7,8)(9,10)/rA:23nCCCCCNCCNCNCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;s11;s12;s12;s12;s7;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.52921
Area:492.515
Solvation:-2.78367
Coulombic:-32.1129
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.406
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.44
LogP (Chemaxon):3.99

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