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Chemical ID: 7042167
Chemical ID:
7042167
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)NC(=O)Cc2coc3c2c4ccccc4cc3)C
InChi [?]:
InChI=1/C22H19NO2/c1-14-9-15(2)11-18(10-14)23-21(24)12-17-13-25-20-8-7-16-5-3-4-6-19(16)22(17)20/h3-11,13H,12H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,20,19,21,18,23,24,3,7,5,11,13,2,4,22,12,6,17,15,9,16,8,10,14/E:(1,2)(10,11)(14,15)/rA:25nCCCCCCCNCOCCCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;s14;s12s15;d16;s17;d18;s19;d20;s17s21;d22;d15s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19NO2 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.71149 |
Area: | 535.551 |
Solvation: | -3.67729 |
Coulombic: | -28.0867 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 329.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.91 |
LogP (Chemaxon): | 5.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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