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Chemical ID: 5370065
Chemical ID:
5370065
Name [?]:
2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-N-(4-tert-butylthiazol-2-yl)-acetamide
SMILES [?]:
CC(C)(C)c1csc(n1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H18ClN3OS3/c1-18(2,3)14-9-24-16(21-14)22-15(23)10-26-17-20-13(8-25-17)11-4-6-12(19)7-5-11/h4-9H,10H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,25,22,24,18,6,13,20,23,17,5,11,8,15,2,26,16,9,10,12,7,19,14/E:(1,2,3)(4,5)(6,7)/rA:26nCCCCCCSCNNCOCSCNCCSCCCCCCCl/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;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClN3OS3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8712 |
Area: | 648.825 |
Solvation: | -3.34945 |
Coulombic: | -33.4958 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 424.006 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.2 |
LogP (Chemaxon): | 6.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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