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Chemical ID: 5172309
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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