Chemical ID: 4540996

c1ccc(cc1)Cc2cnc(s2)NC(=O)CCCl
Chemical ID:
4540996
Name [?]:
N-(5-benzylthiazol-2-yl)-3-chloro-propanamide
SMILES [?]:
c1ccc(cc1)Cc2cnc(s2)NC(=O)CCCl
InChi [?]:
InChI=1/C13H13ClN2OS/c14-7-6-12(17)16-13-15-9-11(18-13)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,17,7,9,4,8,14,11,18,10,13,15,12/E:(2,3)(4,5)/rA:18nCCCCCCCCCNCSNCOCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13ClN2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.03634
Area:483.872
Solvation:-3.06046
Coulombic:-25.9491
Bond Count [?]
All:19
Single:13
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.774
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.82
LogP (Chemaxon):3.09

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