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Chemical ID: 4342494
Chemical ID:
4342494
Name [?]:
None
SMILES [?]:
CN(C)c1ccc(cc1)C2C3=C(CCCC3=O)Nc4cc(ccc4N2)C(=O)c5ccccc5
InChi [?]:
InChI=1/C28H27N3O2/c1-31(2)21-14-11-18(12-15-21)27-26-23(9-6-10-25(26)32)29-24-17-20(13-16-22(24)30-27)28(33)19-7-4-3-5-8-19/h3-5,7-8,11-17,27,29-30H,6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,31,30,32,14,29,33,13,15,6,8,22,5,9,23,20,7,28,21,4,24,12,19,16,11,10,26,18,25,2,17,27/E:(1,2)(4,5)(7,8)(11,12)(14,15)/rA:33cCNCCCCCCCCCCCCCCONCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;s14;s11s15;d16;s12;s18;s19;d20;s21;d22;d19s23;s10s24;s21;d26;s26;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H27N3O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4906 |
Area: | 650.649 |
Solvation: | -3.77559 |
Coulombic: | -47.2432 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 437.533 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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