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Chemical ID: 3855985
Chemical ID:
3855985
Name [?]:
N-isobutyl-N-[4-(4-methoxyphenyl)thiazol-2-yl]-cyclohexanecarboxamide
SMILES [?]:
CC(C)CN(c1nc(cs1)c2ccc(cc2)OC)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C21H28N2O2S/c1-15(2)13-23(20(24)17-7-5-4-6-8-17)21-22-19(14-26-21)16-9-11-18(25-3)12-10-16/h9-12,14-15,17H,4-8,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,18,24,23,25,22,26,12,16,13,15,4,9,2,11,21,14,8,19,6,7,5,20,17,10/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCNCNCCSCCCCCCOCCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s14;s17;s5;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8646 |
Area: | 557.654 |
Solvation: | -3.07677 |
Coulombic: | -31.9377 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 372.525 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.16 |
LogP (Chemaxon): | 5.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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