Chemical ID: 6001150

CCCC(=O)N(CC(=O)Nc1nc(c(s1)C)C)C(C)C
Chemical ID:
6001150
Name [?]:
N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-isopropyl-butanamide
SMILES [?]:
CCCC(=O)N(CC(=O)Nc1nc(c(s1)C)C)C(C)C
InChi [?]:
InChI=1/C14H23N3O2S/c1-6-7-13(19)17(9(2)3)8-12(18)16-14-15-10(4)11(5)20-14/h9H,6-8H2,1-5H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,17,16,2,3,7,18,13,14,8,4,11,12,10,6,9,5,15/E:(2,3)/rA:20nCCCCONCCONCNCCSCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s13;s6;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23N3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.92397
Area:513.159
Solvation:-3.905
Coulombic:-40.1344
Bond Count [?]
All:20
Single:16
Double:4
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.417
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.27
LogP (Chemaxon):1.75

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