Chemical ID: 6001272

Cc1cnc(s1)NC(=O)CN(C(C)C)C(=O)CC(C)CC(C)(C)C
Chemical ID:
6001272
Name [?]:
N-isopropyl-3,5,5-trimethyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]hexanamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(C(C)C)C(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C18H31N3O2S/c1-12(2)21(16(23)8-13(3)9-18(5,6)7)11-15(22)20-17-19-10-14(4)24-17/h10,12-13H,8-9,11H2,1-7H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:13,14,19,1,22,23,24,17,20,3,10,12,18,2,8,15,5,21,4,7,11,9,16,6/E:(1,2)(5,6,7)/rA:24cCCCNCSNCOCNCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s12;s11;d15;s15;s17;s18;s18;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.8496
Area:592.963
Solvation:-3.97451
Coulombic:-41.4709
Bond Count [?]
All:24
Single:20
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:353.524
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.48
LogP (Chemaxon):3.47

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