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Chemical ID: 6001496
Chemical ID:
6001496
Name [?]:
2-(butyl-(tert-butylcarbamoyl)amino)-N-(5-methylthiazol-2-yl)-acetamide
SMILES [?]:
CCCCN(CC(=O)Nc1ncc(s1)C)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C15H26N4O2S/c1-6-7-8-19(14(21)18-15(3,4)5)10-12(20)17-13-16-9-11(2)22-13/h9H,6-8,10H2,1-5H3,(H,18,21)(H,16,17,20)
InChi Info:
AuxInfo=1/1/N:1,15,20,21,22,2,3,4,12,6,13,7,10,16,19,11,9,18,5,8,17,14/E:(3,4,5)/rA:22nCCCCNCCONCNCCSCCONCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s13;s5;d16;s16;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H26N4O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2477 |
Area: | 565.88 |
Solvation: | -3.89934 |
Coulombic: | -55.2086 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.3 |
LogP (Chemaxon): | 1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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