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Chemical ID: 7215272
Chemical ID:
7215272
Name [?]:
N-(2,6-dichlorophenyl)-2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl-acetamide
SMILES [?]:
c1cc(c(c(c1)Cl)NC(=O)CSc2nccc(n2)c3ccc(cc3)F)Cl
InChi [?]:
InChI=1/C18H12Cl2FN3OS/c19-13-2-1-3-14(20)17(13)24-16(25)10-26-18-22-9-8-15(23-18)11-4-6-12(21)7-5-11/h1-9H,10H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,24,21,23,16,15,11,19,22,3,5,17,9,4,13,26,7,25,14,18,8,10,12/E:(2,3)(4,5)(6,7)(13,14)(19,20)/rA:26nCCCCCCClNCOCSCNCCCNCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12Cl2FN3OS |
All Atoms: | 38 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8938 |
Area: | 601.223 |
Solvation: | -4.13681 |
Coulombic: | -37.1424 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 408.277 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.47 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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