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Chemical ID: 7255218
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
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Experimental Annotations
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Descriptor Annotations
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