Chemical ID: 5370065

CC(C)(C)c1csc(n1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
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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Descriptor Annotations

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