Chemical ID: 6008614

CCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc(cc2)C(C)(C)C
Chemical ID:
6008614
Name [?]:
N-ethyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-4-tert-butyl-benzamide
SMILES [?]:
CCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C19H25N3O2S/c1-6-22(11-16(23)21-18-20-13(2)12-25-18)17(24)14-7-9-15(10-8-14)19(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,13,23,24,25,2,17,21,18,20,4,11,10,16,19,5,14,8,22,9,7,3,6,15,12/E:(3,4,5)(7,8)(9,10)/rA:25nCCNCCONCNCCSCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s10;s3;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.871
Area:578.439
Solvation:-3.58996
Coulombic:-43.986
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:359.487
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.67
LogP (Chemaxon):3.67

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