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Chemical ID: 4267045
Chemical ID:
4267045
Name [?]:
N-(4-phenylthiazol-2-yl)adamantane-1-carboxamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C20H22N2OS/c23-18(20-9-13-6-14(10-20)8-15(7-13)11-20)22-19-21-17(12-24-19)16-4-2-1-3-5-16/h1-5,12-15H,6-11H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,21,23,20,16,24,8,19,17,22,4,7,13,10,15,11,12,14,9/E:(2,3)(4,5)(6,7,8)(9,10,11)(13,14,15)/rA:24nCCCCCCCCSCNNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;s18;s15s19;s19;s21;s17s22;s15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8551 |
Area: | 518.068 |
Solvation: | -2.09657 |
Coulombic: | -28.9369 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.468 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.07 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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