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Chemical ID: 5461878
Chemical ID:
5461878
Name [?]:
N-[5-[(4-isopropylphenyl)methyl]thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CC(C)c1ccc(cc1)Cc2cnc(s2)NC(=O)C(C)C
InChi [?]:
InChI=1/C17H22N2OS/c1-11(2)14-7-5-13(6-8-14)9-15-10-18-17(21-15)19-16(20)12(3)4/h5-8,10-12H,9H2,1-4H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,6,8,5,9,10,12,2,19,7,4,11,17,14,13,16,18,15/E:(1,2)(3,4)(5,6)(7,8)/rA:21nCCCCCCCCCCCCNCSNCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s11s14;s14;s16;d17;s17;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3483 |
Area: | 530.242 |
Solvation: | -2.90774 |
Coulombic: | -26.8526 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 302.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.18 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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