Chemical ID: 5443752

c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)C3CC3
Chemical ID:
5443752
Name [?]:
N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]cyclopropanecarboxamide
SMILES [?]:
c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)C3CC3
InChi [?]:
InChI=1/C14H13ClN2OS/c15-11-3-1-2-9(6-11)7-12-8-16-14(19-12)17-13(18)10-4-5-10/h1-3,6,8,10H,4-5,7H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,4,8,10,3,17,5,9,15,12,7,11,14,16,13/E:(4,5)/rA:19nCCCCCCClCCCNCSNCOCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13ClN2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.481
Area:495.754
Solvation:-2.91285
Coulombic:-26.2325
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:292.785
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.06
LogP (Chemaxon):3.52

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