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Chemical ID: 7284704
Chemical ID:
7284704
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)NC(=O)CN2C(=O)C3(CCc4c3cccc4)NC2=O
InChi [?]:
InChI=1/C20H19N3O3/c1-13-5-4-7-15(11-13)21-17(24)12-23-18(25)20(22-19(23)26)10-9-14-6-2-3-8-16(14)20/h2-8,11H,9-10,12H2,1H3,(H,21,24)(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,22,21,4,3,23,5,20,17,16,7,11,2,18,6,19,9,13,25,15,8,24,12,10,14,26/rA:26cCCCCCCCNCOCNCOCCCCCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s15s18;d19;s20;d21;d18s22;s15;s12s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O3 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.96892 |
Area: | 548.458 |
Solvation: | -3.74252 |
Coulombic: | -61.4155 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 349.383 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.87 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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