Chemical ID: 5914010

Cc1cccc(c1)C(=O)N(CCC(C)C)CC(=O)Nc2nccs2
Chemical ID:
5914010
Name [?]:
N-isopentyl-3-methyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(CCC(C)C)CC(=O)Nc2nccs2
InChi [?]:
InChI=1/C18H23N3O2S/c1-13(2)7-9-21(12-16(22)20-18-19-8-10-24-18)17(23)15-6-4-5-14(3)11-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:14,15,1,4,3,5,12,22,11,23,7,16,13,2,6,17,8,20,21,19,10,18,9,24/E:(1,2)/rA:24nCCCCCCCCONCCCCCCCONCNCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s13;s10;s16;d17;s17;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.99103
Area:570.119
Solvation:-4.26194
Coulombic:-43.1134
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:345.46
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.17
LogP (Chemaxon):3.54

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