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Chemical ID: 5152954
Chemical ID:
5152954
Name [?]:
N-(2,3-dichlorophenyl)-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)NC(=O)CSc2nc(cc(n2)C(F)(F)F)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H11Cl2F4N3OS/c20-12-2-1-3-13(17(12)21)26-16(29)9-30-18-27-14(8-15(28-18)19(23,24)25)10-4-6-11(22)7-5-10/h1-8H,9H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,6,2,25,29,26,28,17,12,24,27,5,3,16,18,10,4,14,20,7,8,30,21,22,23,9,15,19,11,13/E:(4,5)(6,7)(23,24,25)/rA:30nCCCCCCClClNCOCSCNCCCNCFFFCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s16;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H11Cl2F4N3OS |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8776 |
Area: | 649.685 |
Solvation: | -4.36453 |
Coulombic: | -56.5918 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 476.275 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.48 |
LogP (Chemaxon): | 5.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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