Chemical ID: 5152954

c1cc(c(c(c1)Cl)Cl)NC(=O)CSc2nc(cc(n2)C(F)(F)F)c3ccc(cc3)F
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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Descriptor Annotations

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