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Chemical ID: 7299014
Chemical ID:
7299014
Name [?]:
N-isopentyl-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
CC(C)CCNC(=O)CSc1nc(cs1)c2ccccc2
InChi [?]:
InChI=1/C16H20N2OS2/c1-12(2)8-9-17-15(19)11-21-16-18-14(10-20-16)13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,20,17,21,4,5,14,9,2,16,13,7,11,6,12,8,15,10/E:(1,2)(4,5)(6,7)/rA:21nCCCCCNCOCSCNCCSCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2OS2 |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1553 |
Area: | 553.733 |
Solvation: | -2.68803 |
Coulombic: | -28.9774 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 320.475 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.0 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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