Chemical ID: 5397078

CC(C)(C)c1csc(n1)NC(=O)CSc2nc(cs2)c3ccccc3
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

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Descriptor Annotations

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