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Chemical ID: 6003106
Chemical ID:
6003106
Name [?]:
3,3-dimethyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-butanamide
SMILES [?]:
CCCCCN(CC(=O)Nc1nc(cs1)C)C(=O)CC(C)(C)C
InChi [?]:
InChI=1/C17H29N3O2S/c1-6-7-8-9-20(15(22)10-17(3,4)5)11-14(21)19-16-18-13(2)12-23-16/h12H,6-11H2,1-5H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,16,21,22,23,2,3,4,5,19,7,14,13,8,17,11,20,12,10,6,9,18,15/E:(3,4,5)/rA:23nCCCCCNCCONCNCCSCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s13;s6;d17;s17;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29N3O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0876 |
Area: | 584.482 |
Solvation: | -3.52447 |
Coulombic: | -42.1336 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 339.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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