Chemical ID: 4706124

Cc1ccc(c(c1)CN2c3cc(ccc3N4CCCC4C2=O)C#N)C
Chemical ID:
4706124
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)CN2c3cc(ccc3N4CCCC4C2=O)C#N)C
InChi [?]:
InChI=1/C21H21N3O/c1-14-5-6-15(2)17(10-14)13-24-20-11-16(12-22)7-8-18(20)23-9-3-4-19(23)21(24)25/h5-8,10-11,19H,3-4,9,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,18,19,3,4,13,14,17,7,11,23,8,2,5,12,6,15,20,10,21,24,16,9,22/rA:25cCCCCCCCCNCCCCCCNCCCCCOCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s16s19;s9s20;d21;s12;t23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:10.7669
Area:530.471
Solvation:-2.49484
Coulombic:-28.0581
Bond Count [?]
All:28
Single:20
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:331.411
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.0
LogP (Chemaxon):4.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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