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Chemical ID: 5634821
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 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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