ChemDB: Chemical Search
Download
Chemical ID: 5490825
Chemical ID:
5490825
Name [?]:
N-[4-(1-naphthyl)thiazol-2-yl]adamantane-1-carboxamide
SMILES [?]:
c1ccc2c(c1)cccc2c3csc(n3)NC(=O)C45CC6CC(C4)CC(C6)C5
InChi [?]:
InChI=1/C24H24N2OS/c27-22(24-11-15-8-16(12-24)10-17(9-15)13-24)26-23-25-21(14-28-23)20-7-3-5-18-4-1-2-6-19(18)20/h1-7,14-17H,8-13H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,22,25,27,24,20,28,12,23,21,26,5,4,10,11,17,14,19,15,16,18,13/E:(8,9,10)(11,12,13)(15,16,17)/rA:28nCCCCCCCCCCCCSCNNCOCCCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;s22;s19s23;s23;s25;s21s26;s19s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2OS |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9887 |
Area: | 570.367 |
Solvation: | -2.27046 |
Coulombic: | -29.7445 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 388.526 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.34 |
LogP (Chemaxon): | 6.24 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|