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Chemical ID: 7345656
Chemical ID:
7345656
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)N2CCc3c(c4cc(ccc4[nH]3)OC)C2
InChi [?]:
InChI=1/C20H20N2O2/c1-13-3-5-14(6-4-13)20(23)22-10-9-19-17(12-22)16-11-15(24-2)7-8-18(16)21-19/h3-8,11,21H,9-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,3,7,4,6,18,19,12,11,16,24,2,5,17,15,14,20,13,8,21,10,9,22/E:(3,4)(5,6)/rA:24nCCCCCCCCONCCCCCCCCCCNOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;s13s20;s17;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2 |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36082 |
Area: | 517.741 |
Solvation: | -3.5827 |
Coulombic: | -35.9414 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.385 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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