Chemical ID: 3918395

Cc1ccn2c(c1)nc(c2NC(C)(C)C)c3ccc(cc3)OC
Chemical ID:
3918395
Name [?]:
8-(4-methoxyphenyl)-4-methyl-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)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H23N3O/c1-13-10-11-22-16(12-13)20-17(18(22)21-19(2,3)4)14-6-8-15(23-5)9-7-14/h6-12,21H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,13,14,15,23,17,21,18,20,3,4,7,2,16,19,6,9,10,12,8,11,5,22/E:(2,3,4)(6,7)(8,9)/rA:23nCCCCNCCNCCNCCCCCCCCCCOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s12;s12;s9;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:9.5913
Area:495.872
Solvation:-2.80551
Coulombic:-32.0523
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:4.65
LogP (Chemaxon):3.99

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue