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Chemical ID: 7261434
Chemical ID:
7261434
Name [?]:
2-(2,3-dimethylphenyl)amino-1-(4-phenylpiperazin-1-yl)-ethanone
SMILES [?]:
Cc1cccc(c1C)NCC(=O)N2CCN(CC2)c3ccccc3
InChi [?]:
InChI=1/C20H25N3O/c1-16-7-6-10-19(17(16)2)21-15-20(24)23-13-11-22(12-14-23)18-8-4-3-5-9-18/h3-10,21H,11-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,22,21,23,4,3,20,24,5,15,17,14,18,10,2,7,19,6,11,9,16,13,12/E:(4,5)(8,9)(11,12)(13,14)/rA:24nCCCCCCCCNCCONCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O |
All Atoms: | 49 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4558 |
Area: | 548.982 |
Solvation: | -3.26873 |
Coulombic: | -35.7113 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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