Chemical ID: 4564057

Cc1ccc2c(c1)c3c4n2CCN(C4CCC3)CC(=O)NN=Cc5ccco5
Chemical ID:
4564057
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c4n2CCN(C4CCC3)CC(=O)NN=Cc5ccco5
InChi [?]:
InChI=1/C22H24N4O2/c1-15-7-8-19-18(12-15)17-5-2-6-20-22(17)26(19)10-9-25(20)14-21(27)24-23-13-16-4-3-11-28-16/h3-4,7-8,11-13,20H,2,5-6,9-10,14H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,16,26,25,17,15,3,4,12,11,27,7,23,18,2,24,8,6,5,14,19,9,22,21,13,10,20,28/rA:28cCCCCCCCCCNCCNCCCCCCONNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;s12;s9s13;s14;s15;s8s16;s13;s18;d19;s19;s21;w22;s23;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:9.37129
Area:587.235
Solvation:-5.3096
Coulombic:-35.7436
Bond Count [?]
All:32
Single:24
Double:8
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:376.452
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.49
LogP (Chemaxon):3.65

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Descriptor Annotations

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