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Chemical ID: 6544753
Chemical ID:
6544753
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)CSc2ccc(cc2)Cl)SC(F)F
InChi [?]:
InChI=1/C15H12ClF2NOS2/c16-10-1-5-12(6-2-10)21-9-14(20)19-11-3-7-13(8-4-11)22-15(17)18/h1-8,15H,9H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:14,16,1,5,13,17,2,4,10,15,6,12,3,8,20,18,21,22,7,9,11,19/E:(1,2)(3,4)(5,6)(7,8)(17,18)/rA:22nCCCCCCNCOCSCCCCCCClSCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s3;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClF2NOS2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08518 |
Area: | 542.092 |
Solvation: | -4.46712 |
Coulombic: | -32.1553 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.09 |
LogP (Chemaxon): | 5.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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