Chemical ID: 5939934

CCNc1nc(cs1)c2ccc(cc2)NC(=O)C(C)(C)CCl
Chemical ID:
5939934
Name [?]:
3-chloro-N-[4-(2-ethylaminothiazol-4-yl)phenyl]-2,2-dimethyl-propanamide
SMILES [?]:
CCNc1nc(cs1)c2ccc(cc2)NC(=O)C(C)(C)CCl
InChi [?]:
InChI=1/C16H20ClN3OS/c1-4-18-15-20-13(9-22-15)11-5-7-12(8-6-11)19-14(21)16(2,3)10-17/h5-9H,4,10H2,1-3H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,10,14,11,13,7,21,9,12,6,16,4,18,22,3,15,5,17,8/E:(2,3)(5,6)(7,8)/rA:22nCCNCNCCSCCCCCCNCOCCCCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;s18;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20ClN3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.4834
Area:555.165
Solvation:-2.39575
Coulombic:-39.823
Bond Count [?]
All:23
Single:17
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:337.868
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.27
LogP (Chemaxon):4.63

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