Chemical ID: 3918392

Cc1ccn2c(c1)nc(c2NC(C)(C)C)c3ccccc3
Chemical ID:
3918392
Name [?]:
4-methyl-8-phenyl-N-tert-butyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(C)(C)C)c3ccccc3
InChi [?]:
InChI=1/C18H21N3/c1-13-10-11-21-15(12-13)19-16(14-8-6-5-7-9-14)17(21)20-18(2,3)4/h5-12,20H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,14,15,19,18,20,17,21,3,4,7,2,16,6,9,10,12,8,11,5/E:(2,3,4)(6,7)(8,9)/rA:21nCCCCNCCNCCNCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s12;s12;s9;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.9328
Area:457.752
Solvation:-1.51101
Coulombic:-25.8843
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:279.38
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.74
LogP (Chemaxon):4.24

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Descriptor Annotations

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