Chemical ID: 5574343

c1cc(ccc1CCN(Cc2ccc3c(c2)OCO3)C(=O)C(F)(F)F)O
Chemical ID:
5574343
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILES [?]:
c1cc(ccc1CCN(Cc2ccc3c(c2)OCO3)C(=O)C(F)(F)F)O
InChi [?]:
InChI=1/C18H16F3NO4/c19-18(20,21)17(24)22(8-7-12-1-4-14(23)5-2-12)10-13-3-6-15-16(9-13)26-11-25-15/h1-6,9,23H,7-8,10-11H2
InChi Info:
AuxInfo=1/0/N:1,5,12,2,4,13,7,8,16,10,18,6,11,3,14,15,20,22,23,24,25,9,26,21,19,17/E:(1,2)(4,5)(19,20,21)/rA:26nCCCCCCCCNCCCCCCCOCOCOCFFFO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s9;d20;s20;s22;s22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16F3NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.67136
Area:536.046
Solvation:-4.72979
Coulombic:-72.6233
Bond Count [?]
All:28
Single:21
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.319
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.48
LogP (Chemaxon):3.78

Name Annotations

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Descriptor Annotations

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