ChemDB: Chemical Search
Download
Chemical ID: 6564371
Chemical ID:
6564371
Name [?]:
N-(4-amino-2,5-dichloro-phenyl)-3-(4-chlorophenyl)sulfanyl-propanamide
SMILES [?]:
c1cc(ccc1SCCC(=O)Nc2cc(c(cc2Cl)N)Cl)Cl
InChi [?]:
InChI=1/C15H13Cl3N2OS/c16-9-1-3-10(4-2-9)22-6-5-15(21)20-14-8-11(17)13(19)7-12(14)18/h1-4,7-8H,5-6,19H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,9,8,17,14,3,6,15,18,16,13,10,22,21,19,20,12,11,7/E:(1,2)(3,4)/rA:22nCCCCCCSCCCONCCCCCCClNClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl3N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4401 |
Area: | 579.278 |
Solvation: | -2.04186 |
Coulombic: | -39.448 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 375.701 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 4.22 |
LogP (Chemaxon): | 3.98 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|