Chemical ID: 6001135

Cc1ccccc1C(=O)N(CC(C)C)CC(=O)Nc2nc(c(s2)C)C
Chemical ID:
6001135
Name [?]:
N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-isobutyl-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CC(C)C)CC(=O)Nc2nc(c(s2)C)C
InChi [?]:
InChI=1/C19H25N3O2S/c1-12(2)10-22(18(24)16-9-7-6-8-13(16)3)11-17(23)21-19-20-14(4)15(5)25-19/h6-9,12H,10-11H2,1-5H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:13,14,1,25,24,4,5,3,6,11,15,12,2,21,22,7,16,8,19,20,18,10,17,9,23/E:(1,2)/rA:25nCCCCCCCCONCCCCCCONCNCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s12;s10;s15;d16;s16;s18;d19;s20;d21;s19s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.3543
Area:578.397
Solvation:-4.10565
Coulombic:-43.175
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:2.8
LogP (Chemaxon):3.38

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