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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

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value