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Chemical ID: 4624556
Chemical ID:
4624556
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c4n2CCN(C4CCC3)CC(CNCCCN(C)C)O
InChi [?]:
InChI=1/C23H36N4O/c1-17-8-9-21-20(14-17)19-6-4-7-22-23(19)27(21)13-12-26(22)16-18(28)15-24-10-5-11-25(2)3/h8-9,14,18,22,24,28H,4-7,10-13,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,16,23,17,15,3,4,22,24,12,11,7,20,18,2,19,8,6,5,14,9,21,25,13,10,28/E:(2,3)/rA:28cCCCCCCCCCNCCNCCCCCCCNCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;s12;s9s13;s14;s15;s8s16;s13;s18;s19;s20;s21;s22;s23;s24;s25;s25;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H36N4O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.4039 |
Area: | 634.09 |
Solvation: | -4.44834 |
Coulombic: | -40.7476 |
Bond Count [?]
All: | 31 |
Single: | 27 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.558 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.2 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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