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Chemical ID: 5684847
Chemical ID:
5684847
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-(4-dimethylaminophenyl)-acetamide
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)CSc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H17ClN2OS/c1-19(2)14-7-5-13(6-8-14)18-16(20)11-21-15-9-3-12(17)4-10-15/h3-10H,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,17,19,6,8,5,9,16,20,13,18,7,4,15,11,21,10,2,12,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:21nCNCCCCCCCNCOCSCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17ClN2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1652 |
Area: | 536.676 |
Solvation: | -3.2517 |
Coulombic: | -27.7218 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.838 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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