Chemical ID: 5940198

Cc1cccc(c1)Nc2nc(cs2)c3cccc(c3)NC(=O)C(C)(C)CCl
Chemical ID:
5940198
Name [?]:
3-chloro-2,2-dimethyl-N-[3-[2-(m-tolylamino)thiazol-4-yl]phenyl]-propanamide
SMILES [?]:
Cc1cccc(c1)Nc2nc(cs2)c3cccc(c3)NC(=O)C(C)(C)CCl
InChi [?]:
InChI=1/C21H22ClN3OS/c1-14-6-4-8-16(10-14)24-20-25-18(12-27-20)15-7-5-9-17(11-15)23-19(26)21(2,3)13-22/h4-12H,13H2,1-3H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,24,25,4,16,3,15,5,17,7,19,12,26,2,14,6,18,11,21,9,23,27,20,8,10,22,13/E:(2,3)/rA:27nCCCCCCCNCNCCSCCCCCCNCOCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;s23;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22ClN3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.7081
Area:623.358
Solvation:-2.87583
Coulombic:-40.1224
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:399.938
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.85
LogP (Chemaxon):6.43

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