Chemical ID: 5609310

CC(C)c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl
Chemical ID:
5609310
Name [?]:
2-chloro-N-[4-(4-isopropylphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
CC(C)c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C19H17ClN2OS/c1-12(2)13-7-9-14(10-8-13)17-11-24-19(21-17)22-18(23)15-5-3-4-6-16(15)20/h3-12H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,19,22,5,9,6,8,11,2,4,7,18,23,10,16,13,24,14,15,17,12/E:(1,2)(7,8)(9,10)/rA:24nCCCCCCCCCCCSCNNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.6322
Area:565.874
Solvation:-2.51467
Coulombic:-30.0354
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.87
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.86
LogP (Chemaxon):6.16

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