Chemical ID: 5928851

Cc1cc(n2c(c1)nc(c2NC(C)(C)CC(C)(C)C)c3ccccc3)C
Chemical ID:
5928851
Name [?]:
2,4-dimethyl-8-phenyl-N-(1,1,3,3-tetramethylbutyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1cc(n2c(c1)nc(c2NC(C)(C)CC(C)(C)C)c3ccccc3)C
InChi [?]:
InChI=1/C23H31N3/c1-16-13-17(2)26-19(14-16)24-20(18-11-9-8-10-12-18)21(26)25-23(6,7)15-22(3,4)5/h8-14,25H,15H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,26,17,18,19,13,14,23,22,24,21,25,3,7,15,2,4,20,6,9,10,16,12,8,11,5/E:(3,4,5)(6,7)(9,10)(11,12)/rA:26nCCCCNCCNCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s12;s12;s15;s16;s16;s16;s9;s20;d21;s22;d23;d20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0099
Area:505.138
Solvation:-1.61859
Coulombic:-26.5696
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:349.512
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:7.01
LogP (Chemaxon):5.88

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