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Chemical ID: 4226662
Chemical ID:
4226662
Name [?]:
[4-(4-fluorobenzoyl)piperazin-1-yl]-(2-methoxyphenyl)-methanone
SMILES [?]:
COc1ccccc1C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H19FN2O3/c1-25-17-5-3-2-4-16(17)19(24)22-12-10-21(11-13-22)18(23)14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,20,24,21,23,13,15,12,16,19,22,8,3,17,9,25,14,11,18,10,2/E:(6,7)(8,9)(10,11)(12,13)/rA:25nCOCCCCCCCONCCNCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19FN2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.73947 |
Area: | 529.212 |
Solvation: | -5.49083 |
Coulombic: | -45.5467 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 342.364 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.79 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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