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Chemical ID: 6001225
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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