Chemical ID: 5155843

CC(C(=O)Nc1ccc(cc1Cl)Cl)Sc2nc(cc(n2)C(F)(F)F)c3ccccc3
Chemical ID:
5155843
Name [?]:
N-(2,4-dichlorophenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cc1Cl)Cl)Sc2nc(cc(n2)C(F)(F)F)c3ccccc3
InChi [?]:
InChI=1/C20H14Cl2F3N3OS/c1-11(18(29)26-15-8-7-13(21)9-14(15)22)30-19-27-16(12-5-3-2-4-6-12)10-17(28-19)20(23,24)25/h2-11H,1H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,26,30,8,7,10,18,2,25,9,11,6,17,19,3,15,21,13,12,22,23,24,5,16,20,4,14/E:(3,4)(5,6)(23,24,25)/rA:30cCCCONCCCCCCClClSCNCCCNCFFFCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s9;s2;s14;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;s17;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14Cl2F3N3OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.2183
Area:656.195
Solvation:-3.18662
Coulombic:-54.4519
Bond Count [?]
All:32
Single:22
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:472.311
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.61
LogP (Chemaxon):6.3

Name Annotations

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Descriptor Annotations

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