Chemical ID: 7255218

CC(=O)c1cccc(c1)OCC(=O)Nc2ccccc2SC
Chemical ID:
7255218
Name [?]:
2-(3-acetylphenoxy)-N-(2-methylsulfanylphenyl)-acetamide
SMILES [?]:
CC(=O)c1cccc(c1)OCC(=O)Nc2ccccc2SC
InChi [?]:
InChI=1/C17H17NO3S/c1-12(19)13-6-5-7-14(10-13)21-11-17(20)18-15-8-3-4-9-16(15)22-2/h3-10H,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,17,18,6,5,7,16,19,9,11,2,4,8,15,20,12,14,3,13,10,21/rA:22nCCOCCCCCCOCCONCCCCCCSC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO3S
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.95844
Area:531.338
Solvation:-5.325
Coulombic:-36.3558
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:315.388
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.26
LogP (Chemaxon):2.84

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue