Chemical ID: 6001217

CCC(C)N(CC(=O)Nc1nc(c(s1)C)C)C(=O)c2ccccc2C
Chemical ID:
6001217
Name [?]:
N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-2-methyl-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)N(CC(=O)Nc1nc(c(s1)C)C)C(=O)c2ccccc2C
InChi [?]:
InChI=1/C19H25N3O2S/c1-6-13(3)22(18(24)16-10-8-7-9-12(16)2)11-17(23)21-19-20-14(4)15(5)25-19/h7-10,13H,6,11H2,1-5H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,4,16,15,2,22,21,23,20,6,24,3,12,13,19,7,17,10,11,9,5,8,18,14/rA:25cCCCCNCCONCNCCSCCCOCCCCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s13;s12;s5;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.5233
Area:566.71
Solvation:-3.6444
Coulombic:-43.639
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:2.96
LogP (Chemaxon):3.39

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