Chemical ID: 3966808

Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6
Chemical ID:
3966808
Name [?]:
None
SMILES [?]:
Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6
InChi [?]:
InChI=1/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,6,15,5,16,21,7,14,4,17,22,20,29,8,13,24,3,18,12,9,25,10,11,26,23,28,2,19,27/rA:29nCNCCCCCCCCCCCCCCCCNCCCNCCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s11s18;s19;s20;s21;t22;d12;d9s24;s25;d26;s26;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18N4O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.4336
Area:541.837
Solvation:-3.11233
Coulombic:-37.3149
Bond Count [?]
All:34
Single:23
Double:10
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:378.426
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.39
LogP (Chemaxon):4.82

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