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Chemical ID: 4187352
Chemical ID:
4187352
Name [?]:
2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)-ethanone
SMILES [?]:
CN1CCN(CC1)C(=O)COc2ccccc2OC
InChi [?]:
InChI=1/C14H20N2O3/c1-15-7-9-16(10-8-15)14(17)11-19-13-6-4-3-5-12(13)18-2/h3-6H,7-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,15,14,16,13,3,7,4,6,10,17,12,8,2,5,9,18,11/E:(7,8)(9,10)/rA:19nCNCCNCCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.96677 |
Area: | 459.534 |
Solvation: | -6.52158 |
Coulombic: | -34.609 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 264.32 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.54 |
LogP (Chemaxon): | 0.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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