Chemical ID: 4702747

Cc1ccc(cc1)CN2c3cc(ccc3N4CCCC4C2=O)C#N
Chemical ID:
4702747
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2c3cc(ccc3N4CCCC4C2=O)C#N
InChi [?]:
InChI=1/C20H19N3O/c1-14-4-6-15(7-5-14)13-23-19-11-16(12-21)8-9-17(19)22-10-2-3-18(22)20(23)24/h4-9,11,18H,2-3,10,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,3,7,4,6,13,14,17,11,23,8,2,5,12,15,20,10,21,24,16,9,22/E:(4,5)(6,7)/rA:24cCCCCCCCCNCCCCCCNCCCCCOCN/rB:s1;s2;d3;s4;d5;d2s6;s5;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:10.2057
Area:505.025
Solvation:-2.41993
Coulombic:-28.2666
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

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Descriptor Annotations

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