Chemical ID: 5634821

CC(C)c1ccc(cc1)c2csc(n2)NC(=O)C34CC5CC(C3)CC(C5)C4
Chemical ID:
5634821
Name [?]:
N-[4-(4-isopropylphenyl)thiazol-2-yl]adamantane-1-carboxamide
SMILES [?]:
CC(C)c1ccc(cc1)c2csc(n2)NC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C23H28N2OS/c1-14(2)18-3-5-19(6-4-18)20-13-27-22(24-20)25-21(26)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,13-17H,7-12H2,1-2H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,6,8,21,24,26,23,19,27,11,2,22,20,25,4,7,10,16,13,18,14,15,17,12/E:(1,2)(3,4)(5,6)(7,8,9)(10,11,12)(15,16,17)/rA:27nCCCCCCCCCCCSCNNCOCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;s21;s18s22;s22;s24;s20s25;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N2OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.4784
Area:582.762
Solvation:-2.0906
Coulombic:-29.3343
Bond Count [?]
All:31
Single:25
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.547
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.48
LogP (Chemaxon):6.43

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Descriptor Annotations

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