Chemical ID: 6001119

CC(C)(C)c1ccc(cc1)C(=O)N(CC=C)CC(=O)Nc2nccs2
Chemical ID:
6001119
Name [?]:
N-allyl-4-tert-butyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N(CC=C)CC(=O)Nc2nccs2
InChi [?]:
InChI=1/C19H23N3O2S/c1-5-11-22(13-16(23)21-18-20-10-12-25-18)17(24)14-6-8-15(9-7-14)19(2,3)4/h5-10,12H,1,11,13H2,2-4H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:16,1,3,4,15,7,9,6,10,23,14,24,17,8,5,18,11,21,2,22,20,13,19,12,25/E:(2,3,4)(6,7)(8,9)/rA:25nCCCCCCCCCCCONCCCCCONCNCCS/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s13;s17;d18;s18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4591
Area:581.905
Solvation:-4.08849
Coulombic:-44.9983
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:357.471
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.31
LogP (Chemaxon):3.9

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