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Chemical ID: 6439329
Chemical ID:
6439329
Name [?]:
N-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cc1)Cl)Sc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H13Cl2NOS/c1-10(20-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(16)3-7-13/h2-10H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,10,16,18,7,11,15,19,2,9,17,6,14,3,12,20,5,4,13/E:(2,3)(4,5)(6,7)(8,9)/rA:20cCCCONCCCCCCClSCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s2;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NOS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5008 |
Area: | 515.969 |
Solvation: | -2.39844 |
Coulombic: | -23.4722 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.241 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.77 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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