Chemical ID: 7519111

c1ccc(cc1)CCC(=O)Nc2ncc(s2)Cc3ccccc3Cl
Chemical ID:
7519111
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-3-phenyl-propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)Nc2ncc(s2)Cc3ccccc3Cl
InChi [?]:
InChI=1/C19H17ClN2OS/c20-17-9-5-4-8-15(17)12-16-13-21-19(24-16)22-18(23)11-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,7,8,17,14,4,18,15,23,9,12,24,13,11,10,16/E:(2,3)(6,7)/rA:24nCCCCCCCCCONCNCCSCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2OS
All Atoms:41
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:11.0497
Area:571.467
Solvation:-3.237
Coulombic:-27.7832
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.55
LogP (Chemaxon):None

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Descriptor Annotations

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