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Chemical ID: 7182305
Chemical ID:
7182305
Name [?]:
None
SMILES [?]:
CCN(CC)c1ccc(cc1)C2C3C(=O)CC(C=C3Nc4ccc(cc4N2)C)(C)C
InChi [?]:
InChI=1/C26H33N3O/c1-6-29(7-2)19-11-9-18(10-12-19)25-24-22(15-26(4,5)16-23(24)30)27-20-13-8-17(3)14-21(20)28-25/h8-15,24-25,27-28H,6-7,16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,28,29,30,2,4,23,8,10,7,11,22,25,18,16,24,9,6,21,26,19,14,13,12,17,20,27,3,15/E:(1,2)(4,5)(6,7)(9,10)(11,12)/rA:30cCCNCCCCCCCCCCCOCCCCNCCCCCCNCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;s17;s13d18;s19;s20;s21;d22;s23;d24;d21s25;s12s26;s24;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H33N3O |
All Atoms: | 63 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.5705 |
Area: | 623.692 |
Solvation: | -3.02183 |
Coulombic: | -37.8919 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 403.56 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.41 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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