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Chemical ID: 4276261
Chemical ID:
4276261
Name [?]:
N-(4-phenylthiazol-2-yl)cyclohexanecarboxamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C16H18N2OS/c19-15(13-9-5-2-6-10-13)18-16-17-14(11-20-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,2,6,17,19,3,5,16,20,8,4,15,7,13,10,11,12,14,9/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCCCCCCCSCNNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88447 |
Area: | 482.838 |
Solvation: | -2.18649 |
Coulombic: | -28.2463 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 286.393 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.03 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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