Chemical ID: 4599864

CCCCC(=O)Nc1ncc(s1)Cc2cccc(c2)Cl
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

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