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Chemical ID: 4599864
Chemical ID:
4599864
Name [?]:
N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]pentanamide
SMILES [?]:
CCCCC(=O)Nc1ncc(s1)Cc2cccc(c2)Cl
InChi [?]:
InChI=1/C15H17ClN2OS/c1-2-3-7-14(19)18-15-17-10-13(20-15)9-11-5-4-6-12(16)8-11/h4-6,8,10H,2-3,7,9H2,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,16,15,17,4,19,13,10,14,18,11,5,8,20,9,7,6,12/rA:20nCCCCCONCNCCSCCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17ClN2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3259 |
Area: | 532.084 |
Solvation: | -2.97617 |
Coulombic: | -26.6114 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.827 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.24 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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