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Chemical ID: 4564057
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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