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Chemical ID: 4623589
Chemical ID:
4623589
Name [?]:
None
SMILES [?]:
CCN(CC)c1ccc(cc1)C=CC23C(c4cc(ccc4N2CC(=O)N3)C)(C)C
InChi [?]:
InChI=1/C25H31N3O/c1-6-27(7-2)20-11-9-19(10-12-20)14-15-25-24(4,5)21-16-18(3)8-13-22(21)28(25)17-23(29)26-25/h8-16H,6-7,17H2,1-5H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,5,27,28,29,2,4,19,8,10,7,11,20,12,13,17,23,18,9,6,16,21,24,15,14,26,3,22,25/E:(1,2)(4,5)(6,7)(9,10)(11,12)/rA:29cCCNCCCCCCCCCCCCCCCCCCNCCONCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;s15;s16;d17;s18;d19;d16s20;s14s21;s22;s23;d24;s14s24;s18;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H31N3O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.8681 |
Area: | 590.777 |
Solvation: | -2.90132 |
Coulombic: | -37.1366 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 389.533 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.26 |
LogP (Chemaxon): | 6.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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