Chemical ID: 6003106

CCCCCN(CC(=O)Nc1nc(cs1)C)C(=O)CC(C)(C)C
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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