Chemical ID: 5940187

Cc1cccc(c1)Nc2nc(cs2)c3cccc(c3)NC(=O)C(C)(C)C
Chemical ID:
5940187
Name [?]:
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)C
InChi [?]:
InChI=1/C21H23N3OS/c1-14-7-5-9-16(11-14)23-20-24-18(13-26-20)15-8-6-10-17(12-15)22-19(25)21(2,3)4/h5-13H,1-4H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,25,26,4,16,3,15,5,17,7,19,12,2,14,6,18,11,21,9,23,20,8,10,22,13/E:(2,3,4)/rA:26nCCCCCCCNCNCCSCCCCCCNCOCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9363
Area:591.88
Solvation:-2.86073
Coulombic:-39.7338
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.493
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.51
LogP (Chemaxon):6.29

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