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Chemical ID: 3852809
Chemical ID:
3852809
Name [?]:
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-acetamide
SMILES [?]:
COc1ccc(cc1)N2CCN(CC2)CC(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C19H22FN3O2/c1-25-18-8-6-17(7-9-18)23-12-10-22(11-13-23)14-19(24)21-16-4-2-15(20)3-5-16/h2-9H,10-14H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,21,23,20,24,5,7,4,8,11,13,10,14,15,22,19,6,3,16,25,18,12,9,17,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25nCOCCCCCCNCCNCCCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s9s13;s12;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22FN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08597 |
Area: | 545.852 |
Solvation: | -5.56032 |
Coulombic: | -42.0476 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 343.395 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.69 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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