Chemical ID: 5172309

Cc1c([nH]c(nc1=O)SCC(=O)Nc2cccc(c2Cl)Cl)C
Chemical ID:
5172309
Name [?]:
N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-6-oxo-3H-pyrimidin-2-yl)sulfanyl]acetamide
SMILES [?]:
Cc1c([nH]c(nc1=O)SCC(=O)Nc2cccc(c2Cl)Cl)C
InChi [?]:
InChI=1/C14H13Cl2N3O2S/c1-7-8(2)17-14(19-13(7)21)22-6-11(20)18-10-5-3-4-9(15)12(10)16/h3-5H,6H2,1-2H3,(H,18,20)(H,17,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,16,17,15,10,2,3,18,14,11,19,7,5,21,20,4,13,6,12,8,9/rA:22nCCCNCNCOSCCONCCCCCCClClC/rB:s1;d2;s3;s4;d5;s2s6;d7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13Cl2N3O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.8353
Area:546.156
Solvation:-2.81858
Coulombic:-48.2501
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:358.243
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.83
LogP (Chemaxon):3.19

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Descriptor Annotations

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