Chemical ID: 5940257

CC(C)(CCl)C(=O)Nc1cccc(c1)c2csc(n2)Nc3cccc(c3)F
Chemical ID:
5940257
Name [?]:
3-chloro-N-[3-[2-(3-fluorophenyl)aminothiazol-4-yl]phenyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(CCl)C(=O)Nc1cccc(c1)c2csc(n2)Nc3cccc(c3)F
InChi [?]:
InChI=1/C20H19ClFN3OS/c1-20(2,12-21)18(26)23-15-7-3-5-13(9-15)17-11-27-19(25-17)24-16-8-4-6-14(22)10-16/h3-11H,12H2,1-2H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,11,23,12,24,10,22,14,26,16,4,13,25,9,21,15,6,18,2,5,27,8,20,19,7,17/E:(1,2)/rA:27nCCCCClCONCCCCCCCCSCNNCCCCCCF/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s16;s17;s15d18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClFN3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6485
Area:608.56
Solvation:-3.56551
Coulombic:-43.3552
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:403.902
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.57
LogP (Chemaxon):6.11

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