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Chemical ID: 7515170
Chemical ID:
7515170
Name [?]:
N-(4-acetylphenyl)-2-(3-chlorophenyl)sulfanyl-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)CSc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H14ClNO2S/c1-11(19)12-5-7-14(8-6-12)18-16(20)10-21-15-4-2-3-13(17)9-15/h2-9H,10H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,5,9,6,8,20,13,2,4,19,7,15,11,21,10,3,12,14/E:(5,6)(7,8)/rA:21nCCOCCCCCCNCOCSCCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO2S |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.48526 |
Area: | 531.339 |
Solvation: | -3.79821 |
Coulombic: | -28.9778 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.7 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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