Chemical ID: 4706092

Cc1cccc(c1)CN2c3cc(ccc3N4CCCC4C2=O)C#N
Chemical ID:
4706092
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)CN2c3cc(ccc3N4CCCC4C2=O)C#N
InChi [?]:
InChI=1/C20H19N3O/c1-14-4-2-5-16(10-14)13-23-19-11-15(12-21)7-8-17(19)22-9-3-6-18(22)20(23)24/h2,4-5,7-8,10-11,18H,3,6,9,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,18,3,5,19,13,14,17,7,11,23,8,2,12,6,15,20,10,21,24,16,9,22/rA:24cCCCCCCCCNCCCCCCNCCCCCOCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s16s19;s9s20;d21;s12;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:10.1897
Area:504.093
Solvation:-2.41266
Coulombic:-28.2772
Bond Count [?]
All:27
Single:19
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:317.384
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.57
LogP (Chemaxon):3.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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