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Chemical ID: 5397078
Chemical ID:
5397078
Name [?]:
2-(4-phenylthiazol-2-yl)sulfanyl-N-(4-tert-butylthiazol-2-yl)-acetamide
SMILES [?]:
CC(C)(C)c1csc(n1)NC(=O)CSc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C18H19N3OS3/c1-18(2,3)14-10-23-16(20-14)21-15(22)11-25-17-19-13(9-24-17)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,22,24,21,25,18,6,13,20,17,5,11,8,15,2,16,9,10,12,7,19,14/E:(1,2,3)(5,6)(7,8)/rA:25nCCCCCCSCNNCOCSCNCCSCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;s5d8;s8;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3OS3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9945 |
Area: | 613.14 |
Solvation: | -3.33397 |
Coulombic: | -33.4774 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 389.561 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.57 |
LogP (Chemaxon): | 6.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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