Chemical ID: 3991232

c1ccc(c(c1)Cc2cnc(s2)NC(=O)CC#N)Cl
Chemical ID:
3991232
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-3-nitrido-propanamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)CC#N)Cl
InChi [?]:
InChI=1/C13H10ClN3OS/c14-11-4-2-1-3-9(11)7-10-8-16-13(19-10)17-12(18)5-6-15/h1-4,8H,5,7H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,7,9,5,8,4,14,11,19,18,10,13,15,12/rA:19nCCCCCCCCCNCSNCOCCNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;t17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10ClN3OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.58151
Area:478.788
Solvation:-4.38819
Coulombic:-26.766
Bond Count [?]
All:20
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.757
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.17
LogP (Chemaxon):3.03

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