Chemical ID: 7289085

COc1ccc(c(c1)[N+](=O)[O-])OCC(=O)Nc2ccc(cc2)SC(F)F
Chemical ID:
7289085
Name [?]:
N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methoxy-2-nitro-phenoxy)-acetamide
SMILES [?]:
COc1ccc(c(c1)[N+](=O)[O-])OCC(=O)Nc2ccc(cc2)SC(F)F
InChi [?]:
InChI=1/C16H14F2N2O5S/c1-24-11-4-7-14(13(8-11)20(22)23)25-9-15(21)19-10-2-5-12(6-3-10)26-16(17)18/h2-8,16H,9H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,18,22,4,19,21,5,8,13,17,3,20,7,6,14,24,25,26,16,9,15,10,11,2,12,23/E:(2,3)(5,6)(17,18)(22,23)/CRV:20.5/rA:26nCOCCCCCCN+OO-OCCONCCCCCCSCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s6;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14F2N2O5S
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-0.984926
Area:568.296
Solvation:-15.1923
Coulombic:-52.1916
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:384.356
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.59
LogP (Chemaxon):4.1

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Descriptor Annotations

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