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Chemical ID: 4720047
Chemical ID:
4720047
Name [?]:
N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfanyl-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CSc2ccc(c(c2)Cl)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NOS/c15-10-6-5-9(7-12(10)17)20-8-14(19)18-13-4-2-1-3-11(13)16/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,13,14,17,10,12,15,4,16,5,8,19,20,18,7,9,11/rA:20nCCCCCCNCOCSCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl3NOS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7591 |
Area: | 531.449 |
Solvation: | -2.52709 |
Coulombic: | -23.3041 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.659 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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