Chemical ID: 6001225

CCC(C)N(CC(=O)Nc1nc(c(s1)C)C)C(=O)COC
Chemical ID:
6001225
Name [?]:
N-(4,5-dimethylthiazol-2-yl)-2-[(2-methoxyacetyl)-sec-butyl-amino]-acetamide
SMILES [?]:
CCC(C)N(CC(=O)Nc1nc(c(s1)C)C)C(=O)COC
InChi [?]:
InChI=1/C14H23N3O3S/c1-6-9(2)17(13(19)8-20-5)7-12(18)16-14-15-10(3)11(4)21-14/h9H,6-8H2,1-5H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,4,16,15,21,2,6,19,3,12,13,7,17,10,11,9,5,8,18,20,14/rA:21cCCCCNCCONCNCCSCCCOCOC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s13;s12;s5;d17;s17;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23N3O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.09112
Area:528.275
Solvation:-6.11577
Coulombic:-47.9122
Bond Count [?]
All:21
Single:17
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:313.417
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.29
LogP (Chemaxon):0.92

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