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Chemical ID: 4890398
Chemical ID:
4890398
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN2CCN(CC2)C(=O)CN3c4cccc5c4c(ccc5)C3=O
InChi [?]:
InChI=1/C24H23N3O2/c28-22(26-14-12-25(13-15-26)16-18-6-2-1-3-7-18)17-27-21-11-5-9-19-8-4-10-20(23(19)21)24(27)29/h1-11H,12-17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,26,20,3,5,27,21,25,19,9,13,10,12,7,16,4,22,24,18,14,23,28,8,11,17,15,29/E:(2,3)(6,7)(12,13)(14,15)/rA:29nCCCCCCCNCCNCCCOCNCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s17s24;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9574 |
Area: | 598.793 |
Solvation: | -4.01246 |
Coulombic: | -39.8866 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 385.458 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.05 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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