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Chemical ID: 7351390
Chemical ID:
7351390
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CNC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
InChi [?]:
InChI=1/C27H23N3O2/c1-16-10-12-17(13-11-16)15-28-26(31)23-14-21-18-6-4-5-9-22(18)29-24(21)25-19-7-2-3-8-20(19)27(32)30(23)25/h2-13,23,25,29H,14-15H2,1H3,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,30,31,17,18,16,29,32,19,3,7,4,6,13,8,2,5,15,28,27,14,20,12,22,23,10,25,9,21,24,11,26/E:(10,11)(12,13)/rA:32cCCCCCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;d14s21;s22;s12s23;s24;d25;s25;s23s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H23N3O2 |
All Atoms: | 55 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.6311 |
Area: | 641.276 |
Solvation: | -3.40075 |
Coulombic: | -52.9163 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 421.491 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.28 |
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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