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Chemical ID: 6835842
Chemical ID:
6835842
Name [?]:
N-[4-(4-isopropoxyphenyl)thiazol-2-yl]butanamide
SMILES [?]:
CCCC(=O)Nc1nc(cs1)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C16H20N2O2S/c1-4-5-15(19)18-16-17-14(10-21-16)12-6-8-13(9-7-12)20-11(2)3/h6-11H,4-5H2,1-3H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,21,2,3,13,17,14,16,10,19,12,15,9,4,7,8,6,5,18,11/E:(2,3)(6,7)(8,9)/rA:21nCCCCONCNCCSCCCCCCOCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O2S |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81359 |
Area: | 528.157 |
Solvation: | -3.39034 |
Coulombic: | -34.0664 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.73 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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